Thomas Lengauer

MethMarker: user-friendly design and optimization of gene-specific DNA methylation assays (2009)

Schüffler, Peter, Mikeska, Thomas, Waha, Andreas, Lengauer, Thomas, Bock, Christoph

Abstract DNA methylation is a key mechanism of epigenetic regulation that is frequently altered in diseases such as cancer. To confirm the biological or clinical relevance of such changes,...

1 Structural Descriptors of Protein-Protein Binding Sites (2009)

Oliver S, Francisco S. Domingues, Hongbo Zhu, Thomas Lengauer, Ingolf Sommer

Structural bioinformatics provides new tools for investigating protein-protein interactions at the molecular level. We present two types of structural descriptors for efficiently representing and...

Multi-Task Learning for HIV Therapy Screening (2009)

Steffen Bickel, Jasmina Bogojeska, Thomas Lengauer, Tobias Scheffer

We address the problem of learning classifiers for a large number of tasks. We derive a solution that produces resampling weights which match the pool of all examples to the target distribution of...

EpiGRAPH: user-friendly software for statistical analysis and prediction of (epi)genomic data (2009)

Bock, Christoph, Halachev, Konstantin, Büch, Joachim, Lengauer, Thomas

Abstract The EpiGRAPH web service http://epigraph.mpi-inf.mpg.de/ enables biologists to uncover hidden associations in vertebrate genome and epigenome datasets. Users can upload sets of genomic...

DASMI: exchanging, annotating and assessing molecular interaction data (2009)

Blankenburg, Hagen, Finn, Robert D., Prlic, Andreas, Jenkinson, Andrew M., Ramírez, Fidel, Emig, Dorothea, ...

Motivation: Ever increasing amounts of biological interaction data are being accumulated worldwide, but they are currently not readily accessible to the biologist at a single site. New techniques are...

Protein solubility: sequence based prediction and experimental verification (2008)

Pawel Smialowski, Ra Mikolajka, Tobias Girschick, Tad A. Holak, Dmitrij Frishman, ...

Motivation: Obtaining soluble proteins in sufficient concentrations is a recurring limiting factor in various experimental studies. Solubility is an individual trait of proteins which, under a given...

BIOINFORMATICS Systems Biology (2008)

Mario Albrecht, Carola Huthmacher, Thomas Lengauer

Vol. 21 Suppl. 2 2005, pages ii220–ii221 doi:10.1093/bioinformatics/bti1135 Decomposing protein networks into domain–domain interactions

ProtBuD: A Database of Biological Unit Structures of Protein Families and Superfamilies (2008)

Thomas Lengauer

Motivation: Modeling of protein interactions is often possible from known structures of related complexes. It is often time-consuming to find the most appropriate template. Hypothesized biological...

as a new indicator (2008)

Tetsuya Sato, Yoshihiro Yamanishi, Katsuhisa Horimoto, Hiroyuki Toh, Thomas Lengauer

Partial correlation coefficient between distance matrices

Generation of 3D templates of active sites of proteins with rigid prosthetic groups (2008)

Jean-christophe Nebel, Thomas Lengauer

Motivation: With the increasing availability of protein structures, the generation of biologically meaningful 3D patterns from the simultaneous alignment of several protein structures is an exciting...

Data and text mining ROCR: visualizing classifier performance in R (2008)

Tobias Sing, Oliver S, Niko Beerenwinkel, Thomas Lengauer

Summary: ROCR is a package for evaluating and visualizing the performance of scoring classifiers in the statistical language R. It features over 25 performance measures that can be freely combined to...

Analyzing HIV Resistance Phenomena with bioinformatics Methods (2008)

Thomas Lengauer

We report on research taht is targeted towards understanding the resistance phenomena taht HIV undergoes in the presence of selective pressure presented by combination drug therapies. The ultimate...

ABSTRACT Learning Multiple Evolutionary Pathways from Cross-sectional Data (2008)

Niko Beerenwinkel, Jörg Rahnenführer, Martin Däumer, Daniel Hoffmann, Rolf Kaiser, Joachim Selbig, ...

We introduce a mixture model of trees to describe evolutionary processes that are characterized by the accumulation of permanent genetic changes. The basic building block of the model is a directed...

115. The Arby Automated Protein Structure Prediction Server (2008)

Ingolf Sommer, Niklas Von Öhsen, Theo Mevissen, Mario Albrecht, Ralf Zimmer, Thomas Lengauer

Our fully automated protein structure prediction server Arby combines the results of several fold recognition methods to find suitable templates in a database of structural representatives of protein...

Stability analysis of mixtures of mutagenetic trees (2008)

Bogojeska, Jasmina, Lengauer, Thomas, Rahnenführer, Jörg

Abstract Background Mixture models of mutagenetic trees are evolutionary models that capture several pathways of ordered accumulation of genetic events observed in different subsets of patients. They...

Supervised and Unsupervised Approaches for Analyzing Covariation and Phenotypic Impact of HIV Drug Resistance Mutations (2008)

Tobias Sing, Niko Beerenwinkel, Thomas Lengauer, Valentina Svicher, Francesca Ceccherini-silberstein, Carlo-federico Perno

We present a case study on the discovery of clinically relevant domain knowledge in the field of HIV drug resistance. Novel mutations in the HIV genome associated with treatment failure were...

Molecular basis of telaprevir resistance due to V36 and T54 mutations in the NS3-4A protease of the hepatitis C virus (2008)

Welsch, Christoph, Domingues, Francisco S, Susser, Simone, Antes, Iris, Hartmann, Christoph, Mayr, Gabriele, ...

Abstract Background The inhibitor telaprevir (VX-950) of the hepatitis C virus (HCV) protease NS3-4A has been tested in a recent phase 1b clinical trial in patients infected with HCV genotype 1. This...

Integrative Visual Analysis of the Effects of Alternative Splicing on Protein Domain Interaction Networks (2008)

Emig, Dorothea, Cline, Melissa S., Klein, Karsten, Kunert, Anne, Mutzel, Petra, Lengauer, Thomas, ...

Proteins and their interactions are essential for the functioning of all organisms and for understanding biological processes. Alternative splicing is an important molecular mechanism for increasing...

Multi-Task Learning for HIV Therapy Screening (2008)

Bickel, Steffen, Bogojeska, Jasmina, Lengauer, Thomas, Scheffer, Tobias

We address the problem of learning classifers for a large number of tasks. We derive a solution that produces resampling weights which match the pool of all examples to the target distribution of any...

Inter-individual variation of DNA methylation and its implications for large-scale epigenome mapping (2008)

Bock, Christoph, Walter, Jörn, Paulsen, Martina, Lengauer, Thomas

Genomic DNA methylation profiles exhibit substantial variation within the human population, with important functional implications for gene regulation. So far little is known about the...

Rtreemix: an R package for estimating evolutionary pathways and genetic progression scores (2008)

Bogojeska, Jasmina, Alexa, Adrian, Altmann, André, Lengauer, Thomas, Rahnenführer, Jörg

Summary: In genetics, many evolutionary pathways can be modeled by the ordered accumulation of permanent changes. Mixture models of mutagenetic trees have been used to describe disease progression in...

Stability analysis of mixtures of mutagenetic trees (2008)

Bogojeska, Jasmina, Lengauer, Thomas, Rahnenführer, Jörg

BACKGROUND: Mixture models of mutagenetic trees are evolutionary models that capture several pathways of ordered accumulation of genetic events observed in different subsets of patients. They were...

Alignment of Non-Covalent Interactions at Protein-Protein Interfaces (2008)

Zhu, Hongbo, Sommer, Ingolf, Lengauer, Thomas, Domingues, Francisco S.

Background The study and comparison of protein-protein interfaces is essential for the understanding of the mechanisms of interaction between proteins. While there are many methods for comparing...

Applications of semantic similarity measures (2008)

Schlicker, Andreas, Ramírez, Fidel, Rahnenführer, Jörg, Huthmacher, Carola, Pironti, Alejandro, Domingues, Francisco S., ...

There has been much interest in uncovering protein-protein interactions and their underlying domain-domain interactions. Many experimental techniques have been developed, for example yeast-two-hybrid...

Computing topological parameters of biological networks (2008)

Assenov, Yassen, Ramírez, Fidel, Schelhorn, Sven-Eric, Lengauer, Thomas, Albrecht, Mario

Summary: Rapidly increasing amounts of molecular interaction data are being produced by various experimental techniques and computational prediction methods. In order to gain insight into the...

Computational epigenetics (2008)

Bock, Christoph, Lengauer, Thomas

Epigenetic research aims to understand heritable gene regulation that is not directly encoded in the DNA sequence. Epigenetic mechanisms such as DNA methylation and histone modifications modulate the...

Inter-individual variation of DNA methylation and its implications for large-scale epigenome mapping (2008)

Bock, Christoph, Walter, Jörn, Paulsen, Martina, Lengauer, Thomas

Genomic DNA methylation profiles exhibit substantial variation within the human population, with important functional implications for gene regulation. So far little is known about the...

Integrating expression data with domain interaction networks (2008)

Emig, Dorothea, Cline, Melissa S., Lengauer, Thomas, Albrecht, Mario

Summary: Recent studies have revealed that alternative splicing plays an important role in the observed protein and interaction diversity. Special microarrays allow for measuring gene expression at...

Rtreemix: an R package for estimating evolutionary pathways and genetic progression scores (2008)

Bogojeska, Jasmina, Alexa, Adrian, Altmann, André, Lengauer, Thomas, Rahnenführer, Jörg

Summary: In genetics, many evolutionary pathways can be modeled by the ordered accumulation of permanent changes. Mixture models of mutagenetic trees have been used to describe disease progression in...

Selecting anti-HIV therapies based on a variety of genomic and clinical factors (2008)

Rosen-Zvi, Michal, Altmann, Andre, Prosperi, Mattia, Aharoni, Ehud, Neuvirth, Hani, Sönnerborg, Anders, ...

Motivation: Optimizing HIV therapies is crucial since the virus rapidly develops mutations to evade drug pressure. Recent studies have shown that genotypic information might not be sufficient for the...

Herausgegeben von / Edited by: (2007)

Hans-ludwig Hausen, Dieter Welzel, Dieter Welzel, Peter Behr, Raul Camposano, Thomas Christaller, ...

Materialien. Im Interesse einer spateren Veroffentlichung wird gebeten, die Arbeitspapiere nicht weiter zu vervielfaltigen. Die Autoren sind fur kritische Hinweise dankbar. The...

Time-Efficient Docking of Similar Flexible Ligands (2007)

Matthias Rarey, Bernd Kramer, Christoph Bernd, Thomas Lengauer

i is joined to all placements found so far among all possible conformations of a finite energetically favorable set. The model of conformational flexibility of the ligand is equal to that of the...

`Go with the winners' Generators with Applications to Molecular Modeling (2007)

Marcus Peinado, Thomas Lengauer

. A generation problem is the problem of generating an element of a (usually exponentially large) set under a given distribution. We develop a method for the design of generation algorithms which is...

Confidence Measures for Fold Recognition (2007)

Ingolf Sommer, Niklas Von Ohsen, Er Zien, Ralf Zimmer, Thomas Lengauer

It is a standard procedure to compare new amino acid sequences to databases of proteins that have been studied already in order to find similarities in structure and function.

yz (2007)

Alexander Zien, Juliane Fluck, Ralf Zimmer, Thomas Lengauer

yx We estimate the number of microarrays that is required in order to gain reliable results from a common type of study: the pairwise comparison of different classes of samples. Current knowlegde...

Characterization and structural analysis of novel mutations in human immunodeficiency virus type 1 reverse transcriptase involved in the regulation of resistance to nonnucleoside inhibitors (2007)

Svicher, Valentina, Sing, Tobias, Artese, Anna, Santoro, Maria Mercedes, Forbici, Federica, ...

Resistance to antivirals is a complex and dynamic phenomenon that involves more mutations than are currently known. Here, we characterize 10 additional mutations (L74V, K101Q, I135M/T, V179I, H221Y,...

IRECS: A new algorithm for the selection of most probable ensembles of side-chain conformations in protein models (2007)

Hartmann, Christoph, Antes, Iris, Lengauer, Thomas

We introduce a new algorithm, IRECS (Iterative REduction of Conformational Space), for identifying ensembles of most probable side-chain conformations for homology modeling. On the basis of a given...

Expression pattern analysis of transcribed HERV sequences is complicated by ex vivorecombination (2007)

Flockerzi, Aline, Maydt, Jochen, Frank, Oliver, Ruggieri, Alessia, Maldener, Esther, Seifarth, Wolfgang, ...

Abstract Background The human genome comprises numerous human endogenous retroviruses (HERVs) that formed millions of years ago in ancestral species. A number of loci of the HERV-K(HML-2) family are...

CpG Island Mapping by Epigenome Prediction (2007)

Christoph Bock, Jörn Walter, Martina Paulsen, Thomas Lengauer

CpG islands were originally identified by epigenetic and functional properties, namely, absence of DNA methylation and frequent promoter association. However, this concept was quickly replaced by...

CpG island mapping by epigenome prediction (2007)

Christoph Bock, Jorn E Walter, Martina Paulsen, Thomas Lengauer

CpG islands were originally identified by epigenetic and functional properties, namely absence of DNA methylation and frequent promoter association. However, this concept was quickly replaced by...

Functional evaluation of domain-domain interactions and human protein interaction networks (2007)

Schlicker, Andreas, Huthmacher, Carola, Ramírez, Fidel, Lengauer, Thomas, Albrecht, Mario

Motivation: Large amounts of protein and domain interaction data are being produced by experimental high-throughput techniques and computational approaches. To gain insight into the value of the...

GOTax: investigating biological processes and biochemical activities along the taxonomic tree (2007)

Schlicker, Andreas, Rahnenführer, Jörg, Albrecht, Mario, Lengauer, Thomas, Domingues, Francisco S

Abstract We describe GOTax, a comparative genomics platform that integrates protein annotation with protein family classification and taxonomy. User-defined sets of proteins, protein families,...

GOTax: investigating biological processes and biochemical activities along the taxonomic tree (2007)

Schlicker, Andreas, Rahnenführer, Jörg, Albrecht, Mario, Lengauer, Thomas, Domingues, Francisco S

Abstract We describe GOTax, a comparative genomics platform that integrates protein annotation with protein family classification and taxonomy. User-defined sets of proteins, protein families,...

Structural Descriptors of gp120 V3 Loop for the Prediction of HIV-1 Coreceptor Usage (2007)

Oliver Sander, Tobias Sing, Ingolf Sommer, Andrew J. Low, Peter K. Cheung, P. Richard Harrigan, ...

HIV-1 cell entry commonly uses, in addition to CD4, one of the chemokine receptors CCR5 or CXCR4 as coreceptor. Knowledge of coreceptor usage is critical for monitoring disease progression as well as...

Factor interaction analysis for chromosome 8 and DNA methylation alterations highlights innate immune response suppression and cytoskeletal changes in prostate cancer (2007)

Schulz, Wolfgang A, Alexa, Adrian, Jung, Volker, Hader, Christiane, Hoffmann, Michèle J, Yamanaka, Masanori, ...

Abstract Background Alterations of chromosome 8 and hypomethylation of LINE-1 retrotransposons are common alterations in advanced prostate carcinoma. In a former study including many metastatic...

Structural Descriptors of gp120 V3 Loop for the Prediction of HIV-1 Coreceptor Usage (2007)

Oliver Sander, Tobias Sing, Ingolf Sommer, Andrew J Low, Peter K Cheung, P Richard Harrigan, ...

HIV-1 cell entry commonly uses, in addition to CD4, one of the chemokine receptors CCR5 or CXCR4 as coreceptor. Knowledge of coreceptor usage is critical for monitoring disease progression as well as...

BIOINFORMATICS REVIEW doi:10.1093/bioinformatics/btm546 Genome analysis Computational epigenetics (2007)

Christoph Bock, Thomas Lengauer

Epigenetic research aims to understand heritable gene regulation that is not directly encoded in the DNA sequence. Epigenetic mechanisms such as DNA methylation and histone modifications modulate the...

2007 Schlicker et Volume al. 8, Issue 3, Article R33 Open Access (2007)

Andreas Schlicker, Jörg Rahnenführer, Mario Albrecht, Thomas Lengauer, Francisco S Domingues

Software GOTax: investigating biological processes and biochemical activities along the taxonomic tree

Genome Analysis Computational Epigenetics (2007)

Christoph Bock, Thomas Lengauer

Epigenetic research aims to understand heritable gene regulation that is not directly encoded in the DNA sequence. Epigenetic mechanisms such as DNA methylation and histone modifications modulate the...

Functional evaluation of domain–domain interactions and human protein interaction networks (2007)

Schlicker, Andreas, Huthmacher, Carola, Ramírez, Fidel, Lengauer, Thomas, Albrecht, Mario

Motivation: Large amounts of protein and domain interaction data are being produced by experimental high-throughput techniques and computational approaches. To gain insight into the value of the...

Structural Descriptors of gp120 V3 Loop for the Prediction of {HIV-1} Coreceptor Usage (2007)

Sander, Oliver, Sing, Tobias, Sommer, Ingolf, Low, Andrew J., Cheung, Peter K., Harrigan, P. Richard, ...

HIV-1 cell entry commonly uses, in addition to CD4, one of the chemokine receptors CCR5 or CXCR4 as coreceptor. Knowledge of coreceptor usage is critical for monitoring disease progression as well as...

Factor interaction analysis for chromosome 8 and DNA methylation alterations highlights innate immune response suppression and cytoskeletal changes in prostate cancer (2007)

Schulz, Wolfgang A., Alexa, Adrian, Jung, Volker, Hader, Christiane, Hoffmann, Michele J., Yamanaka, Masanori, ...

Background Alterations of chromosome 8 and hypomethylation of LINE-1 retrotransposons are common alterations in advanced prostate carcinoma. In a former study including many metastatic cases, they...

Characterization and structural analysis of novel mutations in human immunodeficiency virus type 1 reverse transcriptase involved in the regulation of restistance to nonnucleoside inhibitors (2007)

Ceccherini-Silberstein, Francesca, Svicher, Valentina, Sing, Tobias, Artese, Anna, Santoro, Maria Mercedes, Forbici, Federica, ...

Resistance to antivirals is a complex and dynamic phenomenon that involves more mutations than are currently known. Here, we characterize 10 additional mutations (L74V, K101Q, I135M/T, V179I, H221Y,...

A genome-wide association scan of nonsynonymous SNPs identifies a susceptibility variant for {Crohn} disease in {ATG16L1} (2007)

Hampe, Jochen, Franke, Andre, Rosenstiel, Philip, Till, Andreas, Teuber, Markus, Huse, Klaus, ...

We performed a genome-wide association study of 19,779 nonsynonymous SNPs in 735 individuals with Crohn disease and 368 controls. A total of 7,159 of these SNPs were informative. We followed up on...

Genotypic coreceptor analysis (2007)

Sierra, Saleta, Kaiser, Rolf, Thielen, Alexander, Lengauer, Thomas

HIV infects target cells by binding of its envelope gp120 protein to CD4 and a coreceptor on the cell surface. In vivo, the different HIV-strains use either CCR5 or CXCR4 as coreceptor. CCR5-using...

IRECS: A new algorithm for the selection of most probable ensembles of side-chain conformations in protein models. (2007)

Hartmann, Christoph, Antes, Iris, Lengauer, Thomas

We introduce a new algorithm, IRECS (Iterative REduction of Conformational Space), for identifying ensembles of most probable side-chain conformations for homology modeling. On the basis of a given...

Improved prediction of response to antiretroviral combination therapy using the genetic barrier to drug resistance (2007)

Altmann, Andre, Beerenwinkel, Niko, Sing, Tobias, Savenkov, Igor, Däumer, Martin, Kaiser, Rolf, ...

Background: The outcome of antiretroviral combination therapy depends on many factors involving host, virus, and drugs. We investigate prediction of treatment response from the applied drug...

GOTax: investigating biological processes and biochemical activities along the taxonomic tree (2007)

Schlicker, Andreas, Rahnenführer, Jörg, Albrecht, Mario, Lengauer, Thomas, Domingues, Francisco S.

We describe GOTax (http://gotax.bioinf.mpi-inf.mpg.de/), a comparative genomics platform that integrates protein annotation with protein family classification and taxonomy. User-defined sets of...

The implications of alternative splicing in the ENCODE protein complement (2007)

Tress, Michael L., Martelli, Pier L., Frankish, Adam, Reeves, Gabrielle A., Wesselink, Jan J., Yeats, Corin, ...

Alternative premessenger RNA splicing enables genes to generate more than one gene product. Splicing events that occur within protein coding regions have the potential to alter the biological...

Conformational analysis of alternative protein structures (2007)

Domingues, Francisco S., Rahnenführer, Jörg, Lengauer, Thomas

Motivation: Alternative structural models determined experimentally are available for an increasing number of proteins. Structural and functional studies of these proteins need to take these models...

Moment invariants as shape recognition technique for comparing protein binding sites (2007)

Sommer, Ingolf, Müller, Oliver, Domingues, Francisco S., Sander, Oliver, Weickert, Joachim, Lengauer, Thomas

Motivation: An approach for identifying similarities of protein–protein binding sites is presented. The geometric shape of a binding site is described by computing a feature vector based on moment...

Improving the quality of protein structure models by selecting from alignment alternatives (2006)

Sommer, Ingolf, Toppo, Stefano, Sander, Oliver, Lengauer, Thomas, Tosatto, Silvio CE

Abstract Background In the area of protein structure prediction, recently a lot of effort has gone into the development of Model Quality Assessment Programs (MQAPs). MQAPs distinguish high quality...

Model Selection for Mixtures of Mutagenetic Trees (2006)

Yin, Junming, Beerenwinkel, Niko, Rahnenführer, Jörg, Lengauer, Thomas

The evolution of drug resistance in HIV is characterized by the accumulation of resistance-associated mutations in the HIV genome. Mutagenetic trees, a family of restricted Bayesian tree models, have...

Model Selection for Mixtures of Mutagenetic Trees (2006)

Yin, Junming, Beerenwinkel, Niko, Rahnenführer, Jörg, Lengauer, Thomas

The evolution of drug resistance in HIV is characterized by the accumulation of resistance-associated mutations in the HIV genome. Mutagenetic trees, a family of restricted Bayesian tree models, have...

Model Selection for Mixtures of Mutagenetic Trees (2006)

Yin, Junming, Beerenwinkel, Niko, Rahnenführer, Jörg, Lengauer, Thomas

The evolution of drug resistance in HIV is characterized by the accumulation of resistance-associated mutations in the HIV genome. Mutagenetic trees, a family of restricted Bayesian tree models, have...

Model Selection for Mixtures of Mutagenetic Trees (2006)

Yin, Junming, Beerenwinkel, Niko, Rahnenführer, Jörg, Lengauer, Thomas

The evolution of drug resistance in HIV is characterized by the accumulation of resistance-associated mutations in the HIV genome. Mutagenetic trees, a family of restricted Bayesian tree models, have...

A new measure for functional similarity of gene products based on Gene Ontology (2006)

Schlicker, Andreas, Domingues, Francisco S, Rahnenführer, Jörg, Lengauer, Thomas

Abstract Background Gene Ontology (GO) is a standard vocabulary of functional terms and allows for coherent annotation of gene products. These annotations provide a basis for new methods that compare...

CpG Island Methylation in Human Lymphocytes Is Highly Correlated with DNA Sequence, Repeats, and Predicted DNA Structure (2006)

Christoph Bock, Martina Paulsen, Sascha Tierling, Thomas Mikeska, Thomas Lengauer, Jörn Walter

CpG island methylation plays an important role in epigenetic gene control during mammalian development and is frequently altered in disease situations such as cancer. The majority of CpG islands is...

NOXclass: prediction of protein-protein interaction types (2006)

Zhu, Hongbo, Domingues, Francisco S, Sommer, Lngolf, Lengauer, Thomas

Abstract Background Structural models determined by X-ray crystallography play a central role in understanding protein-protein interactions at the molecular level. Interpretation of these models...

Local protein structure prediction using discriminative models (2006)

Sander, Oliver, Sommer, Ingolf, Lengauer, Thomas

Abstract Background In recent years protein structure prediction methods using local structure information have shown promising improvements. The quality of new fold predictions has risen...

CpG island methylation in human lymphocytes is highly correlated with DNA sequence patterns, repeat frequencies and predicted DNA structure (2006)

Christoph Bock, Martina Paulsen, Sascha Tierling, Thomas Mikeska, Thomas Lengauer, Jorn E Walter

CpG island methylation plays an important role in epigenetic gene control during mammalian development and is frequently altered in disease situations such as cancer. The majority of CpG islands is...

GCB2005 Thermodynamics of RNA-RNA Binding (2006)

Ulrike Mückstein A, Hakim Tafer A, Jörg Hackermüller B, ...

Background: Reliable predictions of RNA-RNA binding energies is crucial e.g. for the understanding on RNAi, microRNA-mRNA binding, and antisense interactions. The thermodynamics of such RNA-RNA...

Development and validation of a consistency based multiple structure alignment algorithm (2006)

Jessica Ebert, Douglas Brutlag, Thomas Lengauer

*To whom correspondence should be addressed Summary: We introduce an algorithm that uses the information gained from simultaneous consideration of an entire group of related proteins to create...

BMC Bioinformatics Methodology article Local protein structure prediction using discriminative models (2006)

Oliver S, Ingolf Sommer, Thomas Lengauer

Background: In recent years protein structure prediction methods using local structure information have shown promising improvements. The quality of new fold predictions has risen significantly and...

BIOINFORMATICS Family specific rates of protein evolution (2006)

Hannes Luz, Martin Vingron, Thomas Lengauer

Motivation: Amino acid changing mutations in proteins are contstrained by purifying selection and accumulate at different rates. We estimate evolutionary rates on multiple alignments of eukaryotic...

Planning optimal measurements of isotopomer distributions for estimation of metabolic fluxes (2006)

Ari Rantanen, Taneli Mielikäinen, Juho Rousu, Hannu Maaheimo, Thomas Lengauer

Motivation: Flux estimation using isotopomer information of metabolites is currently the most reliable method to obtain quantitative estimates of the activity of metabolic pathways. However, the...

Stable coreceptor usage of HIV in patients with ongoing treatment failure on {HAART} (2006)

Lehmann, Clara, Däumer, Martin, Bousaad, Ibrahim, Sing, Tobias, Beerenwinkel, Niko, Lengauer, Thomas, ...

Background Disease progression in HIV infection has been associated with switch of viral coreceptor usage from CCR5 to CXCR4. Objectives To investigate the relationship between HIV-coreceptor tropism...

Improving the quality of protein structure models by selecting from alignment alternatives (2006)

Sommer, Ingolf, Toppo, Stefano, Sander, Oliver, Lengauer, Thomas, Tosatto, Silvio

Background In the area of protein structure prediction, recently a lot of effort has gone into the development of Model Quality Assessment Programs (MQAPs). MQAPs distinguish high quality protein...

Computational recognition of potassium channel sequences (2006)

Heil, Burkhard, Ludwig, Jost, Lichtenberg-Fraté, Hella, Lengauer, Thomas

Motivation: Potassium channels are mainly known for their role in regulating and maintaining the membrane potential. Since this is one of the key mechanisms of signal transduction, malfunction of...

Mutations in the NB-ARC domain of {I-2} that impair {ATP} hydrolysis cause autoactivation (2006)

Tameling, Wladimir I., Vossen, Jack H., Albrecht, Mario, Lengauer, Thomas, Berden, Jan A., Haring, Michel A., ...

Resistance (R) proteins in plants confer specificity to the innate immune system. Most R proteins have a centrally located NB-ARC (nucleotide-binding adaptor shared by APAF-1, R proteins, and CED-4)...

Arevir: A Secure Platform for Designing Personalized Antiretroviral Therapies Against HIV (2006)

Roomp, Kirsten, Beerenwinkel, Niko, Sing, Tobias, Schülter, Eugen, Büch, Joachim, Sierra-Aragon, Saleta, ...

Despite the availability of antiretroviral combination therapies, success in drug treatment of HIV-infected patients is limited. One reason for therapy failure is the development of drug-resistant...

Flexible Docking of Ligands into Synthetic Receptors Using a Two-Sided Incremental Construction Algorithm (2006)

Steffen, Andreas, Kämper, Andreas, Lengauer, Thomas

We present a new algorithm for the fast and reliable structure prediction of synthetic receptor-ligand complexes. Our method is based on the protein-ligand docking program FlexX and extends our...

Fully Automated Flexible Docking of Ligands into Flexible Synthetic Receptors Using Forward and Inverse Docking Strategies (2006)

Kämper, Andreas, Apostolakis, Joannis, Rarey, Matthias, Marian, Christel M., Lengauer, Thomas

The prediction of the structure of host-guest complexes is one of the most challenging problems in supramolecular chemistry. Usual procedures for docking of ligands into receptors do not take full...

A new measure for functional similarity of gene products based on Gene Ontology (2006)

Schlicker, Andreas, Domingues, Francisco S., Rahnenführer, Jörg, Lengauer, Thomas

\paragraph*{Background:} Gene Ontology (GO) is a standard vocabulary of functional terms and allows for coherent annotation of gene products. These annotations provide a basis for new methods that...

Functional evaluation of domain-domain interactions and human protein interaction networks (2006)

Schlicker, Andreas, Huthmacher, Carola, Ramírez, Fidel, Lengauer, Thomas, Albrecht, Mario, Huson, Daniel, ...

Large amounts of protein and domain interaction data are being produced by experimental high-throughput techniques and computational approaches. To gain insight into the value of the provided data,...

Local protein structure prediction using discriminative models (2006)

Sander, Oliver, Sommer, Ingolf, Lengauer, Thomas

Background In recent years protein structure prediction methods using local structure information have shown promising improvements. The quality of new fold predictions has risen significantly and in...

Bioinformatics-assisted anti-HIV therapy (2006)

Lengauer, Thomas, Sing, Tobias

Highly active antiretroviral therapy (HAART), in which three or more drugs are given in combination, has substantially improved the clinical management of HIV-1 infection. Still, the emergence of...

NOXclass: prediction of protein-protein interaction types (2006)

Zhu, Hongbo, Domingues, Francisco S., Sommer, Ingolf, Lengauer, Thomas

Background Structural models determined by X-ray crystallography play a central role in understanding protein-protein interactions at the molecular level. Interpretation of these models requires the...

A Fully Computational Model for Predicting Percutaneous Drug Absorption (2006)

Neumann, Dirk, Kohlbacher, Oliver, Merkwirth, Christian, Lengauer, Thomas

The prediction of transdermal absorption for arbitrary penetrant structures has several important applications in the pharmaceutical industry. We propose a new data-driven, predictive model for skin...

CpG Island Methylation in Human Lymphocytes Is Highly Correlated with {DNA} Sequence, Repeats, and Predicted {DNA} Structure (2006)

Bock, Christoph, Paulsen, Martina, Tierling, Sascha, Mikeska, Thomas, Lengauer, Thomas, Walter, Jörn

CpG island methylation plays an important role in epigenetic gene control during mammalian development and is frequently altered in disease situations such as cancer. The majority of CpG islands is...

Recco: recombination analysis using cost optimization (2006)

Maydt, Jochen, Lengauer, Thomas

Motivation: Recombination plays an important role in the evolution of many pathogens, such as HIV or malaria. Despite substantial prior work, there is still a pressing need for efficient and...

Model Selection for Mixtures of Mutagenetic Trees (2006)

Yin, Junming, Beerenwinkel, Niko, Rahnenführer, Jörg, Lengauer, Thomas

The evolution of drug resistance in HIV is characterized by the accumulation of resistance-associated mutations in the HIV genome. Mutagenetic trees, a family of restricted Bayesian tree models, have...

Mutations in the MutSalpha interaction interface of {MLH1} can abolish {DNA} mismatch repair (2006)

Plotz, Guido, Welsch, Christoph, Giron-Monzon, Luis, Friedhoff, Peter, Albrecht, Mario, Piiper, Albrecht, ...

MutL, a heterodimer of MLH1 and PMS2, plays a central role in human DNA mismatch repair. It interacts ATP-dependently with the mismatch detector MutS and assembles and controls further repair...

DynaPred: A structure and sequence based method for the prediction of MHC class I binding peptide sequence and conformations (2006)

Antes, Iris, Siu, Weng-In, Lengauer, Thomas

Motivation: The binding of endogenous antigenic peptides to MHC class I molecules is an important step during the immunologic response of a host against a pathogen. Thus, various sequence- and...

Improved Scoring of Functional Groups from Gene Expression Data by Decorrelating GO Graph Structure (2006)

Alexa, Adrian, Rahnenführer, Jörg, Lengauer, Thomas

\begin{abstract} \section{Motivation:} The result of a typical microarray experiment is a long list of genes with corresponding expression measurements. This list is only the starting point for a...

Improving the quality of protein structure models by selecting from alignment alternatives (2006)

Sommer, Ingolf, Toppo, Stefano, Sander, Olivier, Lengauer, Thomas, Tosatto, Silvio CE

Background In the area of protein structure prediction, recently a lot of effort has gone into the development of Model Quality Assessment Programs (MQAPs). MQAPs distinguish high quality protein...

Computational recognition of potassium channel sequences (2006)

Heil, Burkhard, Ludwig, Jost, Lichtenberg-Fraté, Hella, Lengauer, Thomas

Motivation: Potassium channels are mainly known for their role in regulating and maintaining the membrane potential. Since this is one of the key mechanisms of signal transduction, malfunction of...

Improved scoring of functional groups from gene expression data by decorrelating GO graph structure (2006)

Alexa, Adrian, Rahnenführer, Jörg, Lengauer, Thomas

Motivation: The result of a typical microarray experiment is a long list of genes with corresponding expression measurements. This list is only the starting point for a meaningful biological...

Recco: recombination analysis using cost optimization (2006)

Maydt, Jochen, Lengauer, Thomas

Motivation: Recombination plays an important role in the evolution of many pathogens, such as HIV or malaria. Despite substantial prior work, there is still a pressing need for efficient and...

DynaPred: A structure and sequence based method for the prediction of MHC class I binding peptide sequences and conformations (2006)

Antes, Iris, Siu, Shirley W. I., Lengauer, Thomas

Motivation: The binding of endogenous antigenic peptides to MHC class I molecules is an important step during the immunologic response of a host against a pathogen. Thus, various sequence- and...

Dissection of the Inflammatory Bowel Disease Transcriptome Using Genome-Wide cDNA Microarrays (2005)

Christine M. Costello, Nancy Mah, Robert Häsler, Philip Rosenstiel, Georg H. Waetzig, Andreas Hahn, ...

cDNA analysis of colonic samples from patients with Crohn disease and ulcerative colitis suggests substantial differences in pathophysiology between the two diseases.

Dissection of the Inflammatory Bowel Disease Transcriptome Using Genome-Wide cDNA Microarrays (2005)

Christine M. Costello, Nancy Mah, Robert Häsler, Philip Rosenstiel, Georg H. Waetzig, Andreas Hahn, ...

Background The differential pathophysiologic mechanisms that trigger and maintain the two forms of inflammatory bowel disease (IBD), Crohn disease (CD), and ulcerative colitis (UC) are only partially...

Confirmation of human protein interaction data by human expression data (2005)

Hahn, Andreas, Rahnenführer, Jörg, Talwar, Priti, Lengauer, Thomas

Abstract Background With microarray technology the expression of thousands of genes can be measured simultaneously. It is well known that the expression levels of genes of interacting proteins are...

Dissection of the inflammatory bowel disease transcriptome using genome-wide cDNA microarrays (2005)

Costello, Christine M., Mah, Nancy, Häsler, Robert, Rosenstiel, Philip, Waetzig, Georg H., Hahn, Andreas, ...

Background The differential pathophysiologic mechanisms that trigger and maintain the two forms of inflammatory bowel disease (IBD), Crohn disease (CD), and ulcerative colitis (UC) are only partially...

An integrative approach to gain insights into the cellular function of human ataxin-2 (2005)

Ralser, Markus, Albrecht, Mario, Nonhoff, Ute, Lengauer, Thomas, Lehrach, Hans, Krobitsch, Sylvia

Spinocerebellar ataxia type 2 (SCA2) is a hereditary neurodegenerative disorder caused by a trinucleotide expansion in the SCA2 gene, encoding a polyglutamine stretch in the gene product ataxin-2...

Ataxin-2 and huntingtin interact with endophilin-A complexes to function in plastin-associated pathways (2005)

Ralser, Markus, Nonhoff, Ute, Albrecht, Mario, Lengauer, Thomas, Wanker, Erich E., Lehrach, Hans, ...

Spinocerebellar ataxia type 2 is an inherited neurodegenerative disorder that is caused by an expanded trinucleotide repeat in the SCA2 gene, encoding a polyglutamine stretch in the gene product...

BIOINFORMATICS REVIEW (2005)

Niko Beerenwinkel, Tobias Sing, Thomas Lengauer, Jörg Rahnenführer, Kirsten Roomp, Igor Savenkov, ...

Data and text mining Vol. 21 no. 21 2005, pages 3943–3950 doi:10.1093/bioinformatics/bti654 Computational methods for the design of effective therapies against drug resistant HIV strains

Sequence analysis BiQ Analyzer: visualization and quality control for DNA methylation data from bisulfite sequencing (2005)

Christoph Bock, Sabine Reither, Thomas Mikeska, Martina Paulsen, Jörn Walter, Thomas Lengauer

Summary: Manual processing of DNA methylation data from bisulfite sequencing is a tedious and error-prone task. Here we present an interactivesoftwaretool that providesstart-to-endsupportfor...

Lengauer T: Recco: Recombination analysis using cost optimization (2005)

Jochen Maydt, Thomas Lengauer, Martin Bishop

Motivation: Recombination plays an important role in the evolution of many pathogens, such as HIV or malaria. Despite substantial prior work, there is still a pressing need for efficient and...

Lengauer T: Recco: Recombination analysis using cost optimization (2005)

Jochen Maydt, Thomas Lengauer

Motivation: Recombination plays an important role in the evolution of many pathogens, such as HIVor malaria. Despite substantial prior work, there is still a pressing need for efficient and effective...

BiQ Analyzer: visualization and quality control for DNA methylation data from bisulfite sequencing (2005)

Bock, Christoph, Lengauer, Thomas, Reither, Sabine, Mikeska, Thomas, Paulsen, Martina, Walter, Jörn

SUMMARY: Manual processing of DNA methylation data from bisulfite sequencing is a tedious and error-prone task. Here we present an interactive software tool that provides start-to-end support for...

ROCR: visualizing classifier performance in R (2005)

Sing, Tobias, Sander, Oliver, Beerenwinkel, Niko, Lengauer, Thomas

Summary: ROCR is a package for evaluating and visualizing the performance of scoring classifiers in the statistical language R. It features over 25 performance measures that can be freely combined to...

Decomposing protein networks into domain-domain interactions (2005)

Albrecht, Mario, Huthmacher, Carola, Tosatto, Silvio C. E., Lengauer, Thomas

Summary: The application of novel experimental techniques has generated large networks of protein–protein interactions. Frequently, important information on the structure and cellular function of...

Ataxin-2 and huntingtin interact with endophilin-A complexes to function in plastin-associated pathways (2005)

Ralser, Markus, Nonhoff, Ute, Albrecht, Mario, Lengauer, Thomas, Wanker, Erich E., Lehrach, Hans, ...

Spinocerebellar ataxia type 2 is an inherited neurodegenerative disorder that is caused by an expanded trinucleotide repeat in the SCA2 gene, encoding a polyglutamine stretch in the gene product...

Estimating cancer survival and clinical outcome based on genetic tumor progression scores (2005)

Rahnenführer, Jörg, Beerenwinkel, Niko, Schulz, Wolfgang A., Hartmann, Christian, Von Deimling, Andreas, Wullich, Bernd, ...

Motivation: In cancer research, prediction of time to death or relapse is important for a meaningful tumor classification and selecting appropriate therapies. Survival prognosis is typically based on...

Mtreemix: a software package for learning and using mixture models of mutagenetic trees (2005)

Beerenwinkel, Niko, Rahnenführer, Jörg, Kaiser, Rolf, Hoffmann, Daniel, Selbig, Joachim, Lengauer, Thomas

Summary: Mixture models of mutagenetic trees constitute a class of probabilistic models for describing evolutionary processes that are characterized by the accumulation of permanent genetic changes....

Mtreemix: a software package for learning and using mixture models of mutagenetic trees (2005)

Beerenwinke, Niko, Rahnenführer, Jörg, Kaiser, Rolf, Hoffmann, Daniel, Selbig, Joachim, Lengauer, Thomas

Summary: Mixture models of mutagenetic trees constitute a class of probabilistic models for describing evolutionary processes that are characterized by the accumulation of permanent genetic changes....

Mtreemix: a software package for learning and using mixture models of mutagenetic trees (2005)

Beerenwinkel, Niko, Rahnenführer, Jörg, Kaiser, Rolf, Hoffmann, Daniel, Selbig, Joachim, Lengauer, Thomas

Summary: Mixture models of mutagenetic trees constitute a class of probabilistic models for describing evolutionary processes that are characterized by the accumulation of permanent genetic changes....

Estimating cancer survival and clinical outcome based on genetic tumor progression scores (2005)

Rahnenführer, Jörg, Beerenwinkel, Niko, Schulz, Wolfgang A., Hartmann, Christian, Von Deimling, Andreas, Wullich, Bernd, ...

Motivation: In cancer research, prediction of time to death or relapse is important for a meaningful tumor classification and selecting appropriate therapies. Survival prognosis is typically based on...

Estimating cancer survival and clinical outcome based on genetic tumor progression scores (2005)

Rahnenführer, Jörg, Beerenwinkel, Niko, Schulz, Wolfgang A., Hartmann, Christian, Von Deimling, Andreas, Wullich, Bernd, ...

Motivation: In cancer research, prediction of time to death or relapse is important for a meaningful tumor classification and selecting appropriate therapies. Survival prognosis is typically based on...

ROCR: visualizing classifier performance in R (2005)

Sing, Tobias, Sander, Oliver, Beerenwinkel, Niko, Lengauer, Thomas

Summary: ROCR is a package for evaluating and visualizing the performance of scoring classifiers in the statistical language R. It features over 25 performance measures which can be freely combined...

BiQ Analyzer: visualization and quality control for DNA methylation data from bisulphite sequencing (2005)

Bock, Christoph, Reither, Sabine, Mikeska, Thomas, Paulsen, Martina, Walter, Jörn, Lengauer, Thomas

Summary: Manual processing of DNA methylation data from bisulphite sequencing is a tedious and error-prone task. Here we present an interactive software tool that provides start-to-end support for...

Computational methods for the design of effective therapies against drug resistant HIV strains (2005)

Beerenwinkel, Niko, Sing, Tobias, Lengauer, Thomas, Rahnenführer, Jörg, Roomp, Kirsten, Savenkov, Igor, ...

Motivation: The development of drug resistance is a major obstacle to successful treatment of HIV infection. The extraordinary replication dynamics of HIV facilitates its escape from selective...

Computational methods for the design of effective therapies against drug resistant HIV strains (2005)

Beerenwinkel, Niko, Sing, Tobias, Lengauer, Thomas, Rahnenführer, Jörg, Roomp, Kirsten, Savenkov, Igor, ...

Summary: The development of drug resistance is a major obstacle to successful treatment of HIV infection. The extraordinary replication dynamics of HIV facilitates its escape from selective pressure...

BiQ Analyzer: visualization and quality control for DNA methylation data from bisulfite sequencing (2005)

Bock, Christoph, Reither, Sabine, Mikeska, Thomas, Paulsen, Martina, Walter, Jörn, Lengauer, Thomas

Summary: Manual processing of DNA methylation data from bisulfite sequencing is a tedious and error-prone task. Here we present an interactive software tool that provides start-to-end support for...

Calculating the Statistical Significance of Changes in Pathway Activity From Gene Expression Data (2004)

Rahnenführer, Jörg, Domingues, Francisco S, Maydt, Jochen, Lengauer, Thomas

We present a statistical approach to scoring changes in activity of metabolic pathways from gene expression data. The method identifies the biologically relevant pathways with corresponding...

Calculating the Statistical Significance of Changes in Pathway Activity From Gene Expression Data (2004)

Rahnenführer, Jörg, Domingues, Francisco S, Maydt, Jochen, Lengauer, Thomas

We present a statistical approach to scoring changes in activity of metabolic pathways from gene expression data. The method identifies the biologically relevant pathways with corresponding...

Calculating the Statistical Significance of Changes in Pathway Activity From Gene Expression Data (2004)

Rahnenführer, Jörg, Domingues, Francisco S, Maydt, Jochen, Lengauer, Thomas

We present a statistical approach to scoring changes in activity of metabolic pathways from gene expression data. The method identifies the biologically relevant pathways with corresponding...

Calculating the Statistical Significance of Changes in Pathway Activity From Gene Expression Data (2004)

Rahnenführer, Jörg, Domingues, Francisco S, Maydt, Jochen, Lengauer, Thomas

We present a statistical approach to scoring changes in activity of metabolic pathways from gene expression data. The method identifies the biologically relevant pathways with corresponding...

Learning mixtures of localized rules by maximizing the area under the ROC curve (2004)

Tobias Sing, Niko Beerenwinkel, Thomas Lengauer

Abstract. We introduce a model class for statistical learning which is based on mixtures of propositional rules. In our mixture model, the weight of a rule is not uniform over the entire instance...

Novel technologies for virtual screening (2004)

Thomas Lengauer, Thomas Lengauer, Christian Lemmen, Christian Lemmen, Matthias Rarey, Matthias Rarey, ...

There are several methods for virtual screening of databases of small organic compounds to find tight binders to a given protein target. Recent reviews in Drug Discovery Today have concentrated on...

Arby: automatic protein structure prediction using profile-profile alignment and confidence measures (2004)

Von Öhsen, Niklas, Sommer, Ingolf, Zimmer, Ralf, Lengauer, Thomas

Motivation: Arby is a new server for protein structure prediction that combines several homology-based methods for predicting the three-dimensional structure of a protein, given its sequence. The...

Automated clustering of ensembles of alternative models in protein structure databases (2004)

Domingues, Francisco S., Rahnenführer, Jörg, Lengauer, Thomas

Experimentally determined protein structures have been classified in different public databases according to their structural and evolutionary relationships. Frequently, alternative structural...

Automated clustering of ensembles of alternative models in protein structure databases (2004)

Domingues, Francisco S., Rahnenführer, Jörg, Lengauer, Thomas

Experimentally determined protein structures have been classified in different public databases according to their structural and evolutionary relationships. Frequently, alternative structural...

Arby: automatic protein structure prediction using profile-profile alignment and confidence measures (2004)

Von Öhsen, Niklas, Sommer, Ingolf, Zimmer, Ralf, Lengauer, Thomas

Motivation: Arby is a new server for protein structure prediction that combines several homology-based methods for predicting the three-dimensional structure of a protein, given its sequence. The...

Arby: automatic protein structure prediction using profile-profile alignment and confidence measures (2004)

Von Öhsen, Niklas, Sommer, Ingolf, Zimmer, Ralf, Lengauer, Thomas

Motivation: Arby is a new server for protein structure prediction that combines several homology-based methods for predicting the three-dimensional structure of a protein, given its sequence. The...

Automated clustering of ensembles of alternative models in protein structure databases (2004)

Domingues, Francisco S., Rahnenführer, Jörg, Lengauer, Thomas

Experimentally determined protein structures have been classified in different public databases according to their structural and evolutionary relationships. Frequently, alternative structural...

Tenofovir resistance and resensitization (2003)

Walter, Hauke, Beerenwinkel, Niko, Keulen, Wilco, Kaiser, Rolf, Hoffmann, Daniel, ...

Human immunodeficiency viruses in 321 samples from tenofovir-naïve patients were retrospectively evaluated for resistance to this nucleotide analogue. All virus strains with insertions between amino...

Microarrays: how many do you need (2003)

Alexander Zien, Juliane Fluck, Ralf Zimmer, Thomas Lengauer

We estimate the number of microarrays that is required in order to gain reliable results from a common type of study: the pairwise comparison of different classes of samples. We show that current...

Geno2pheno: estimating phenotypic drug resistance from HIV-1 genotypes (2003)

Beerenwinkel, Niko, Däumer, Martin, Oette, Mark, Korn, Klaus, Hoffmann, Daniel, Kaiser, Rolf, ...

Therapeutic success of anti-HIV therapies is limited by the development of drug resistant viruses. These genetic variants display complex mutational patterns in their pol gene, which codes for...

Simple consensus procedures are effective and sufficient in secondary structure prediction (2003)

Albrecht, Mario, Tosatto, Silvio C.E., Lengauer, Thomas, Valle, Giorgio

We have analyzed the performance of majority voting on minimal combination sets of three state‐of‐the‐art secondary structure prediction methods in order to obtain a consensus...

Pyranose oxidase identified as a member of the GMC oxidoreductase family (2003)

Albrecht, Mario, Lengauer, Thomas

Fungal pyranose oxidase is a flavoenzyme whose preferred substrate among several monosaccharides is d-glucose. After a comprehensive analysis of conserved features in a structure-based multiple...

Analyzing resistance phenomena in HIV with bioinformatics methods (2003)

Lengauer, Thomas

We report on research that is targeted towards understanding the resistance phenomena that HIV undergoes in the presence of selective pressure presented by combination drug therapies. The ultimate...

Methods for optimizing antiviral combination therapies (2003)

Beerenwinkel, Niko, Lengauer, Thomas, Däumer, Martin, Kaiser, Rolf, Walter, Hauke, Korn, Klaus, ...

Motivation: Despite some progress with antiretroviral combination therapies, therapeutic success in the management of HIV-infected patients is limited. The evolution of drug-resistant genetic...

Disease-associated variants in PYPAF1 and NOD2 result in similar alterations of conserved sequence (2003)

Albrecht, Mario, Lengauer, Thomas, Schreiber, Stefan

Sequence variations in the gene products PYPAF1/CIAS1 and NOD2/CARD15 have been associated with several autoinflammatory diseases that, although clinically different, share a similar inflammatory...

A Fast Algorithm for finding Dominators in a Flow Graph, (2002)

Lengauer,Thomas, Tarjan,Robert Endre

This paper presents a fast algorithm for finding dominators in a flow graph. The algorithm uses depth-first search and an efficient method of computing functions defined on paths in trees. A simple...

Multiple sequence alignment with arbitrary gap costs: Computing an optimal solution using polyhedral combinatorics (2002)

Althaus, Ernst, Caprara, Alberto, Lenhof, Hans-Peter, Reinert, Knut, Lengauer, Thomas

Multiple sequence alignment is one of the dominant problems in computational molecular biology. Numerous scoring functions and methods have been proposed, most of which result in NP-hard problems. In...

Confidence measures for protein fold recognition (2002)

Sommer, Ingolf, Zien, Alexander, Von Öhsen, Niklas, Zimmer, Ralf, Lengauer, Thomas

Motivation: We present an extensive evaluation of different methods and criteria to detect remote homologs of a given protein sequence. We investigate two associated problems: first, to develop a...

Co-clustering of biological networks and gene expression data (2002)

Hanisch, Daniel, Zien, Alexander, Zimmer, Ralf, Lengauer, Thomas

Motivation: Large scale gene expression data are often analysed by clustering genes based on gene expression data alone, though a priori knowledge in the form of biological networks is available. The...

Centralization: a new method for the normalization of gene expression data (2001)

Zien, Alexander, Aigner, Thomas, Zimmer, Ralf, Lengauer, Thomas

Microarrays measure values that are approximately proportional to the numbers of copies of different mRNA molecules in samples. Due to technical difficulties, the constant of proportionality between...

Analysis of gene expression data with pathway scores (2000)

Er Zien, Robert Ku Ner, Ralf Zimmer, Thomas Lengauer

We present a new approach for the evaluation of gene expression data. The basic idea is to generate biologically possible pathways and to score them with respect to gene expression measurements. We...

Analysis of gene expression data with pathway scores (2000)

Er Zien, Robert Kuffner, Ralf Zimmer, Thomas Lengauer

We present a new approach for the evaluation of gene expression data. The basic idea is to generate biologically possible pathways and to score them with respect to gene expression measurements. We...

Analysis of Gene Expression Data with Pathway Scores (2000)

Alexander Zien, Robert Küffner, Er Zien, Robert Ku Ner, Ralf Zimmer, Thomas Lengauer

Wepresent a new approachfortheevaluation of gene expression data. The basic idea is to generate biologically possible pathways and to score them with respect to gene expression measurements. We...

Protein structure prediction methods for drug design (2000)

Lengauer, Thomas, Zimmer, Ralf

Along the long path from genomic data to a new drug, the knowledge of three-dimensional protein structure can be of significant help in several places. This paper points out such places, discusses...

Pathway analysis in metabolic databases via differential metabolic display (DMD) (2000)

Küffner, Robert, Zimmer, Ralf, Lengauer, Thomas

Motivation: A number of metabolic databases are available electronically, some with features for querying and visualizing metabolic pathways and regulatory networks. We present a unifying, systematic...

Decision tree-based formation of consensus protein secondary structure prediction (1999)

Selbig, Joachim, Mevissen, Theo, Lengauer, Thomas

Motivation: Prediction of protein secondary structure provides information that is useful for other prediction methods like fold recognition and ab initio 3D prediction. A consensus prediction...

Lengauer T.; Parallel “go with the winners algorithms” in the LogP Model (1997)

Marcus Peinado, Thomas Lengauer

We parallelize the ‘Go with the winners ’ algorithm of Aldous and Vazirani [1] and analyze the resulting parallel algorithm in the LogP-model [4]. The main issues in the analysis are load...

Lengauer T.; Parallel “go with the winners algorithms” in the LogP Model (1997)

Marcus Peinado, Thomas Lengauer

We parallelize the `Go with the winners ' algorithm of Aldous and Vazirani [1] and analyze the resulting parallel algorithm in the LogP-model [4]. The main issues in the analysis are load...

A Fast Flexible Docking Method using an Incremental Construction Algorithm (1996)

Matthias Rarey, Bernd Kramer, Thomas Lengauer, Gerhard Klebe

We present an automatic method for docking organic ligands into protein Center for Information binding sites. The method can be used in the design process of specific Technology (GMD), Institute...

On the selection of candidates for point and line correspondences (1995)

Stefan Lanser, Thomas Lengauer

This paper addresses the selection of possible candidates for point or line correspondences between model and image features in the context of pose estimation or navigation tasks. The selection...

Recursive Dynamic Programming for Adaptive Sequence and Structure Alignment (1995)

Ralf Thiele, Ralf Zimmer, Thomas Lengauer

We propose a new alignment procedure that is capable of aligning protein sequences and structures in a unified manner. Recursive dynamic programming (RDP) is a hierarchical method which, on each...

A fast algorithm for finding dominators in a flowgraph (1979)

Thomas Lengauer, Robert Endre, Tar Jan

A fast algoritbm for finding dominators in a flowgraph is presented. The algorithm uses depth-first search and an efficient method of computing functions defined on paths in trees. A simple...

Strukturelle Aspekte der Nebenläufigkeit / (1976)

Lengauer, Thomas.

Zugl.: Berlin, Freie Univ., Fachbereich 19 - Mathematik, Diss., 1975.

Diversity and complexity of HIV-1 drug resistance: A bioinformatics approach to predicting phenotype from genotype

Beerenwinkel, Niko, Schmidt, Barbara, Walter, Hauke, Kaiser, Rolf, Lengauer, Thomas, Hoffmann, Daniel, ...

Drug resistance testing has been shown to be beneficial for clinical management of HIV type 1 infected patients. Whereas phenotypic assays directly measure drug resistance, the commonly used...

Geno2pheno: estimating phenotypic drug resistance from HIV-1 genotypes

Beerenwinkel, Niko, Däumer, Martin, Oette, Mark, Korn, Klaus, Hoffmann, Daniel, Kaiser, Rolf, ...

Therapeutic success of anti-HIV therapies is limited by the development of drug resistant viruses. These genetic variants display complex mutational patterns in their pol gene, which codes for...

Tenofovir Resistance and Resensitization

Wolf, Katharina, Walter, Hauke, Beerenwinkel, Niko, Keulen, Wilco, Kaiser, Rolf, Hoffmann, Daniel, ...

Human immunodeficiency viruses in 321 samples from tenofovir-naïve patients were retrospectively evaluated for resistance to this nucleotide analogue. All virus strains with insertions between amino...

Dissection of the Inflammatory Bowel Disease Transcriptome Using Genome-Wide cDNA Microarrays

Costello, Christine M, Mah, Nancy, Häsler, Robert, Rosenstiel, Philip, Waetzig, Georg H, Hahn, Andreas, ...

cDNA analysis of colonic samples from patients with Crohn disease and ulcerative colitis suggests substantial differences in pathophysiology between the two diseases.

CpG Island Methylation in Human Lymphocytes Is Highly Correlated with DNA Sequence, Repeats, and Predicted DNA Structure

Bock, Christoph, Paulsen, Martina, Tierling, Sascha, Mikeska, Thomas, Lengauer, Thomas, Walter, Jörn

CpG island methylation plays an important role in epigenetic gene control during mammalian development and is frequently altered in disease situations such as cancer. The majority of CpG islands is...

Diversity and functional plasticity of eukaryotic selenoproteins: Identification and characterization of the SelJ family

Castellano, Sergi, Lobanov, Alexey V., Chapple, Charles, Novoselov, Sergey V., Albrecht, Mario, Hua, Deame, ...

Selenoproteins are a diverse group of proteins that contain selenocysteine (Sec), the 21st amino acid. In the genetic code, UGA serves as a termination signal and a Sec codon. This dual role has...

Mutations in the NB-ARC Domain of I-2 That Impair ATP Hydrolysis Cause Autoactivation1[OA]

Tameling, Wladimir I.L., Vossen, Jack H., Albrecht, Mario, Lengauer, Thomas, Berden, Jan A., Haring, Michel A., ...

Resistance (R) proteins in plants confer specificity to the innate immune system. Most R proteins have a centrally located NB-ARC (nucleotide-binding adaptor shared by APAF-1, R proteins, and CED-4)...

Involvement of Novel Human Immunodeficiency Virus Type 1 Reverse Transcriptase Mutations in the Regulation of Resistance to Nucleoside Inhibitors

Svicher, Valentina, Sing, Tobias, Santoro, Maria Mercedes, Forbici, Federica, Rodríguez-Barrios, Fátima, Bertoli, Ada, ...

We characterized 16 additional mutations in human immunodeficiency virus type 1 (HIV-1) reverse transcriptase (RT) whose role in drug resistance is still unknown by analyzing 1,906 plasma-derived...

Patients with High-Grade Gliomas Harboring Deletions of Chromosomes 9p and 10q Benefit from Temozolomide Treatment1

Wemmert, Silke, Ketter, Ralf, Rahnenführer, Jörg, Beerenwinkel, Niko, Strowitzki, Martin, Feiden, Wolfgang, ...

Surgical cure of glioblastomas is virtually impossible and their clinical course is mainly determined by the biologic behavior of the tumor cells and their response to radiation and chemotherapy. We...

Diversity and complexity of HIV-1 drug resistance: A bioinformatics approach to predicting phenotype from genotype

Beerenwinkel, Niko, Schmidt, Barbara, Walter, Hauke, Kaiser, Rolf, Lengauer, Thomas, Hoffmann, Daniel, ...

Drug resistance testing has been shown to be beneficial for clinical management of HIV type 1 infected patients. Whereas phenotypic assays directly measure drug resistance, the commonly used...

Geno2pheno: estimating phenotypic drug resistance from HIV-1 genotypes

Beerenwinkel, Niko, Däumer, Martin, Oette, Mark, Korn, Klaus, Hoffmann, Daniel, Kaiser, Rolf, ...

Therapeutic success of anti-HIV therapies is limited by the development of drug resistant viruses. These genetic variants display complex mutational patterns in their pol gene, which codes for...

Tenofovir Resistance and Resensitization

Wolf, Katharina, Walter, Hauke, Beerenwinkel, Niko, Keulen, Wilco, Kaiser, Rolf, Hoffmann, Daniel, ...

Human immunodeficiency viruses in 321 samples from tenofovir-naïve patients were retrospectively evaluated for resistance to this nucleotide analogue. All virus strains with insertions between amino...

Dissection of the Inflammatory Bowel Disease Transcriptome Using Genome-Wide cDNA Microarrays

Costello, Christine M, Mah, Nancy, Häsler, Robert, Rosenstiel, Philip, Waetzig, Georg H, Hahn, Andreas, ...

cDNA analysis of colonic samples from patients with Crohn disease and ulcerative colitis suggests substantial differences in pathophysiology between the two diseases.

Diversity and functional plasticity of eukaryotic selenoproteins: Identification and characterization of the SelJ family

Castellano, Sergi, Lobanov, Alexey V., Chapple, Charles, Novoselov, Sergey V., Albrecht, Mario, Hua, Deame, ...

Selenoproteins are a diverse group of proteins that contain selenocysteine (Sec), the 21st amino acid. In the genetic code, UGA serves as a termination signal and a Sec codon. This dual role has...

CpG Island Methylation in Human Lymphocytes Is Highly Correlated with DNA Sequence, Repeats, and Predicted DNA Structure

Bock, Christoph, Paulsen, Martina, Tierling, Sascha, Mikeska, Thomas, Lengauer, Thomas, Walter, Jörn

CpG island methylation plays an important role in epigenetic gene control during mammalian development and is frequently altered in disease situations such as cancer. The majority of CpG islands is...

Involvement of Novel Human Immunodeficiency Virus Type 1 Reverse Transcriptase Mutations in the Regulation of Resistance to Nucleoside Inhibitors

Svicher, Valentina, Sing, Tobias, Santoro, Maria Mercedes, Forbici, Federica, Rodríguez-Barrios, Fátima, Bertoli, Ada, ...

We characterized 16 additional mutations in human immunodeficiency virus type 1 (HIV-1) reverse transcriptase (RT) whose role in drug resistance is still unknown by analyzing 1,906 plasma-derived...

Patients with High-Grade Gliomas Harboring Deletions of Chromosomes 9p and 10q Benefit from Temozolomide Treatment1

Wemmert, Silke, Ketter, Ralf, Rahnenführer, Jörg, Beerenwinkel, Niko, Strowitzki, Martin, Feiden, Wolfgang, ...

Surgical cure of glioblastomas is virtually impossible and their clinical course is mainly determined by the biologic behavior of the tumor cells and their response to radiation and chemotherapy. We...

Mutations in the MutSα interaction interface of MLH1 can abolish DNA mismatch repair

Plotz, Guido, Welsch, Christoph, Giron-Monzon, Luis, Friedhoff, Peter, Albrecht, Mario, Piiper, Albrecht, ...

MutLα, a heterodimer of MLH1 and PMS2, plays a central role in human DNA mismatch repair. It interacts ATP-dependently with the mismatch detector MutSα and assembles and controls further repair...

Mutations in the NB-ARC Domain of I-2 That Impair ATP Hydrolysis Cause Autoactivation1[OA]

Tameling, Wladimir I.L., Vossen, Jack H., Albrecht, Mario, Lengauer, Thomas, Berden, Jan A., Haring, Michel A., ...

Resistance (R) proteins in plants confer specificity to the innate immune system. Most R proteins have a centrally located NB-ARC (nucleotide-binding adaptor shared by APAF-1, R proteins, and CED-4)...

Structural Descriptors of gp120 V3 Loop for the Prediction of HIV-1 Coreceptor Usage

Sander, Oliver, Sing, Tobias, Sommer, Ingolf, Low, Andrew J, Cheung, Peter K, Harrigan, P. Richard, ...

HIV-1 cell entry commonly uses, in addition to CD4, one of the chemokine receptors CCR5 or CXCR4 as coreceptor. Knowledge of coreceptor usage is critical for monitoring disease progression as well as...

GOTax: investigating biological processes and biochemical activities along the taxonomic tree

Schlicker, Andreas, Rahnenführer, Jörg, Albrecht, Mario, Lengauer, Thomas, Domingues, Francisco S

GOTax, a novel web-based platform that integrates protein annotation with protein family classification and taxonomy, allows for an extensive assessment of functional similarity between proteins and...

CpG Island Mapping by Epigenome Prediction

Bock, Christoph, Walter, Jörn, Paulsen, Martina, Lengauer, Thomas

CpG islands were originally identified by epigenetic and functional properties, namely, absence of DNA methylation and frequent promoter association. However, this concept was quickly replaced by...

The implications of alternative splicing in the ENCODE protein complement

Tress, Michael L., Martelli, Pier Luigi, Frankish, Adam, Reeves, Gabrielle A., Wesselink, Jan Jaap, Yeats, Corin, ...

Alternative premessenger RNA splicing enables genes to generate more than one gene product. Splicing events that occur within protein coding regions have the potential to alter the biological...

Characterization and Structural Analysis of Novel Mutations in Human Immunodeficiency Virus Type 1 Reverse Transcriptase Involved in the Regulation of Resistance to Nonnucleoside Inhibitors▿

Ceccherini-Silberstein, Francesca, Svicher, Valentina, Sing, Tobias, Artese, Anna, Santoro, Maria Mercedes, Forbici, Federica, ...

Resistance to antivirals is a complex and dynamic phenomenon that involves more mutations than are currently known. Here, we characterize 10 additional mutations (L74V, K101Q, I135M/T, V179I, H221Y,...

Selective Pressures of HLA Genotypes and Antiviral Therapy on Human Immunodeficiency Virus Type 1 Sequence Mutation at a Population Level▿

Ahlenstiel, Golo, Roomp, Kirsten, Däumer, Martin, Nattermann, Jacob, Vogel, Martin, Rockstroh, Jürgen K., ...

The objective of this study was a comprehensive analysis of the immune-driven evolution of viruses of human immunodeficiency virus type 1 (HIV-1) clade B in a large patient cohort treated at a single...

Model Selection for Mixtures of Mutagenetic Trees

Junming Yin, Niko Beerenwinkel, Jörg Rahnenführer, Thomas Lengauer

The evolution of drug resistance in HIV is characterized by the accumulation of resistance-associated mutations in the HIV genome. Mutagenetic trees, a family of restricted Bayesian tree models, have...

Calculating the Statistical Significance of Changes in Pathway Activity From Gene Expression Data

Jörg Rahnenführer, Francisco Domingues, Jochen Maydt, Thomas Lengauer

We present a statistical approach to scoring changes in activity of metabolic pathways from gene expression data. The method identifies the biologically relevant pathways with corresponding...

Molecular basis of telaprevir resistance due to V36 and T54 mutations in the NS3-4A protease of the hepatitis C virus

Welsch, Christoph, Domingues, Francisco S, Susser, Simone, Antes, Iris, Hartmann, Christoph, Mayr, Gabriele, ...

Structural analysis of the inhibitor Telaprevir (VX-950) of the hepatitis C virus (HCV) protease NS3-4A shows that mutations at V36 and/or T54 result in impaired interaction with VX-950, explaining...

IRECS: A new algorithm for the selection of most probable ensembles of side-chain conformations in protein models

Hartmann, Christoph, Antes, Iris, Lengauer, Thomas

We introduce a new algorithm, IRECS (Iterative REduction of Conformational Space), for identifying ensembles of most probable side-chain conformations for homology modeling. On the basis of a given...

Inter-individual variation of DNA methylation and its implications for large-scale epigenome mapping

Bock, Christoph, Walter, Jörn, Paulsen, Martina, Lengauer, Thomas

Genomic DNA methylation profiles exhibit substantial variation within the human population, with important functional implications for gene regulation. So far little is known about the...

Local Function Conservation in Sequence and Structure Space

Weinhold, Nils, Sander, Oliver, Domingues, Francisco S., Lengauer, Thomas, Sommer, Ingolf

We assess the variability of protein function in protein sequence and structure space. Various regions in this space exhibit considerable difference in the local conservation of molecular function....

Rtreemix: an R package for estimating evolutionary pathways and genetic progression scores

Bogojeska, Jasmina, Alexa, Adrian, Altmann, André, Lengauer, Thomas, Rahnenführer, Jörg

Summary: In genetics, many evolutionary pathways can be modeled by the ordered accumulation of permanent changes. Mixture models of mutagenetic trees have been used to describe disease progression in...

Integrating expression data with domain interaction networks

Emig, Dorothea, Cline, Melissa S., Lengauer, Thomas, Albrecht, Mario

Summary: Recent studies have revealed that alternative splicing plays an important role in the observed protein and interaction diversity. Special microarrays allow for measuring gene expression at...

EpiGRAPH: user-friendly software for statistical analysis and prediction of (epi)genomic data

Bock, Christoph, Halachev, Konstantin, Büch, Joachim, Lengauer, Thomas

EpiGRAPH is a genome-scale data-mining software tool that enables users to identify epigenetic and gene regulatory features in large datasets of genomic regions.

DASMI: exchanging, annotating and assessing molecular interaction data

Blankenburg, Hagen, Finn, Robert D., Prlić, Andreas, Jenkinson, Andrew M., Ramírez, Fidel, Emig, Dorothea, ...

Motivation: Ever increasing amounts of biological interaction data are being accumulated worldwide, but they are currently not readily accessible to the biologist at a single site. New techniques are...

Selecting anti-HIV therapies based on a variety of genomic and clinical factors

Rosen-Zvi, Michal, Altmann, Andre, Prosperi, Mattia, Aharoni, Ehud, Neuvirth, Hani, Sönnerborg, Anders, ...

Motivation: Optimizing HIV therapies is crucial since the virus rapidly develops mutations to evade drug pressure. Recent studies have shown that genotypic information might not be sufficient for the...

V3 Loop Sequence Space Analysis Suggests Different Evolutionary Patterns of CCR5- and CXCR4-Tropic HIV

Bozek, Katarzyna, Thielen, Alexander, Sierra, Saleta, Kaiser, Rolf, Lengauer, Thomas

The V3 loop of human immunodeficiency virus type 1 (HIV-1) is critical for coreceptor binding and is the main determinant of which of the cellular coreceptors, CCR5 or CXCR4, the virus uses for cell...