Iris Antes

http://www.fz-juelich.de/nic-series/volume40 Protein-Ligand Docking Including Protein Flexibility: A Hierarchical Approach (2009)

I. Antes, Ch. Hartmann, Th. Lengauer, Jan H. Meinke, Ipan Mohanty, ...

Proceedings of the NIC Workshop 2008,

The Unbinding of ATP from F 1-ATPase (2008)

Iris Antes, David Ch, Hongyun Wang, George Oster Z

ABSTRACT Using molecular dynamics, we study the unbinding of ATP in F1-ATPase from its tight binding state to its weak binding state. The calculations are made feasible through use of interpolated...

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...

Theoretical and Experimental Evaluation of a CYP106A2 Low Homology Model and Production of Mutants with Changed Activity and Selectivity of Hydroxylation (2008)

Lisurek, Michael, Simgen, Birgit, Antes, Iris, Bernhardt, Rita

Novel Aldosterone Synthase Inhibitors with Extended Carbocyclic Skeleton by a Combined Ligand-Based and Structure-Based Drug Design Approach (2008)

Lucas, Simon, Heim, Ralf, Negri, Matthias, Antes, Iris, Ries, Christina, Schewe, Katarzyna E., ...

Molecular basis of telaprevir resistance due to V36 and {T54} mutations in the {NS3-4A} protease of {HCV} (2008)

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

The unbinding of ATP from F 1-ATPase (2007)

Iris Antes, David Ch, Hongyun Wang, George Oster

Using molecular dynamics, we study the unbinding of ATP in F 1-ATPase from its tight binding state to its weak binding state. The calculations are made feasible through use of inter-polated atomic...

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...

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...

Refinement of homology modeled protein structures for molecular docking (2006)

Antes, Iris, Lengauer, Thomas

Synthesis and evaluation of heteroaryl substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis (2006)

Voets, Marieke, Antes, Iris, Scherer, C., Biemel, K., Barassin, C., Marchais-Oberwinkler, S., ...

Improvement of the fungal enzyme pyranose 2-oxidase using protein engineering (2006)

Heckmann-Pohl, Dorothee M., Bastian, Sabine, Altmeier, S., Antes, Iris

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...

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...

Synthesis and evaluation of heteroaryl substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis (2005)

Vouts, Marieke, Antes, Iris, Scherer, C., Biemel, K., Barassin, C., Marchais-Oberwinkler, S., ...

Heteroaryl-substituted naphthalenes and structurally modified derivatives: selective inhibitors of CYP11B2 for the treatment of congestive heart failure and myocardial fibrosis (2005)

Voets, Marieke, Antes, Iris, Scherer, C, Mueller-Vieira, U., Biemel, K., Barrassin, C., ...

Synthesis and Evaluation of Imidazolylmethylenetetrahydronaphthalenes and Imidazolylmethyleneindanes: Potent Inhibitors of Aldosterone Synthase (2005)

Ulmschneider, Sarah, Mueller-Vieira, Ursula, Mitrenga, Markus, Hartmann, Rolf W., Oberwinkler-Marchais, S, Klein, Christian D., ...

Synthesis and Evaluation of Pyridylmethylene-tetrahydronaphthalenes and -indanes: Potent and Selective Inhibitors of Aldosterone Synthase (CYP11B2) (2005)

Ulmschneider, Sarah, Mueller-Vieira, Ursula, Klein, Christian D., Antes, Iris, Lengauer, Thomas, Hartmann, Rolf W.

POEM: Parameter Optimization using Ensemble Methods: Application to target specific scoring functions (2005)

Antes, Iris, Merkwirth, Christian, Lengauer, Thomas

Alternative Binding Modes of Polyproline Peptides Binding to the GYF Domain (2005)

Gu, Wei, Kofler, Michael, Antes, Iris, Freund, Christian, Helms, Volkhard

Structural and functional analysis of a novel mutation of CYP21B in a heterozygote carrier of 21-hydroxylase deficiency (2005)

Bojunga, Jörg, Welsch, Christoph, Antes, Iris, Albrecht, Mario, Lengauer, Thomas, Zeuzem, Stefan

The Helmholtz Network for Bioinformatics: an integrative web portal for bioinformatics resources (2004)

Crass,T., Antes,Iris, Basekow,R., Bork,P., Buning,Christian, Christensen,M., ...

Docking into the homology models of CYP11B1 and CYP11B2 (2004)

Antes, Iris, Lengauer, Thomas

The Helmholtz Network for Bioinformatics: an integrative web portal for bioinformatics resources (2004)

Crass, T., Antes, Iris, Basekow, R., Bork, P., Buning, Christian, Christensen, M., ...

The Helmholtz Network for Bioinformatics: an integrative web portal for bioinformatics resources (2004)

Crass, T., Antes, Iris, Basekow, R., Bork, P., Buning, Christian, Christensen, M., ...

The unbinding of ATP from F1-ATPase (2003)

Antes,Iris, Wang,Hongyun, Chandler,David, Oster,George

The unbinding of ATP from F1-ATPase (2003)

Antes, Iris, Wang, Hongyun, Chandler, David, Oster, George

Molecular dynamics simulations of photoactive yellow protein (PYP) in three states of its photocycle: a comparison with X-ray and NMR data and analysis of the effects of Glu46 deprotonation and mutation (2002)

Antes,Iris, Thiel,Walter, Gunsteren Van,Wilfred F.

Molecular dynamics simulations of photoactive yellow protein (PYP) in three states of its photocycle: a comparison with X-ray and NMR data and analysis of the effects of Glu46 deprotonation and mutation (2002)

Antes, Iris, Thiel, Walter, Gunsteren Van, Wilfred F.

Docking into the homology models of CYP11B1 and CYP11B2

Antes,Iris, Lengauer,Thomas

The Unbinding of ATP from F1-ATPase

Antes, Iris, Chandler, David, Wang, Hongyun, Oster, George

Using molecular dynamics, we study the unbinding of ATP in F1-ATPase from its tight binding state to its weak binding state. The calculations are made feasible through use of interpolated atomic...

The Unbinding of ATP from F1-ATPase

Antes, Iris, Chandler, David, Wang, Hongyun, Oster, George

Using molecular dynamics, we study the unbinding of ATP in F1-ATPase from its tight binding state to its weak binding state. The calculations are made feasible through use of interpolated atomic...

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...