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MPI-INF D3 Publications

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Your search returned the following 26 documents:

  1. Ketoamide Resistance and Hepatitis C Virus Fitness in Val55 Variants of the NS3 Serine Protease
    Christoph Welsch, Sabine Schweizer, Testsuro Shimakami, Francisco S. Domingues, Seungtaek Kim, Stanley, M. Lemon, and Iris Antes
    Antimicrobial Agents and Chemotherapy 56 (4): 1907-1915, 2012
  2. Identification of CYP106A2 as a Regioselective Allylic Bacterial Diterpene Hydroxylase
    Sabrina Bleif, Frank Hannemann, Michael Lisurek, Jens Peter von Kries, Josef Zapp, Matthias Dietzen, Iris Antes, and Rita Bernhardt
    ChemBioChem 12 (4): 576-582, 2011
  3. Dimerization of the hepatitis C virus nonstructural protein 4B depends on the integrity of an aminoterminal basic leucine zipper
    Martin-Walter Welker, Christoph Welsch, Aline Meyer, Iris Antes, Mario Albrecht, Nicole Forestier, Bernd Kronenberger, Thomas Lengauer, Albrecht Piiper, Stefan Zeuzem, and Christoph Sarrazin
    Protein Science 19 (7): 1327-1336, 2010
  4. Predicting MHC class I epitopes in large datasets
    Kirsten Roomp, Iris Antes, and Thomas Lengauer
    BMC Bioinformatics 11 (1): 90,1-90,11, 2010
  5. Computational Methods for the Investigation of Protein-Ligand Interactions
    Iris Antes
    Habilitation thesis, Universität des Saarlandes, 2009
  6. Docking and scoring with alternative side-chain conformations
    Christoph Hartmann, Iris Antes, and Thomas Lengauer
    Proteins: Structure, Function, and Bioinformatics 74 (3): 712-726, 2009
  7. Molecular basis of telaprevir resistance due to V36 and T54 mutations in the NS3-4A protease of HCV
    Christoph Welsch, Francisco S. Domingues, Simone Susser, Iris Antes, Christoph Hartmann, Gabriele Mayr, Andreas Schlicker, Christoph Sarrazin, Mario Albrecht, Stefan Zeuzem, and Thomas Lengauer
    Genome Biology 9 (1): R16 p., 2008
    [PDF: Download: Welsch2008.pdf]
  8. Novel Aldosterone Synthase Inhibitors with Extended Carbocyclic Skeleton by a Combined Ligand-Based and Structure-Based Drug Design Approach
    Simon Lucas, Ralph Heim, Matthias Negri, Iris Antes, Christina Ries, Katarzyna E. Schewe, Alessandra Bisi, Silvia Gobbi, and Rolf W. Hartmann
    Journal of Medical Chemistry 51 (19): 6138-6149, 2008
  9. Theoretical and Experimental Evaluation of a CYP106A2 Low Homology Model and Production of Mutants with Changed Activity and Selectivity of Hydroxylation
    Michael Lisurek, Birgit Simgen, Iris Antes, and Rita Bernhardt
    ChemBioChem 9 (9): 1439-1449, 2008
  10. IRECS: A new algorithm for the selection of most probable ensembles of side-chain conformations in protein models.
    Christoph Hartmann, Iris Antes, and Thomas Lengauer
    Protein Science 16: 1294-1307, 2007

  11. Improvement of the fungal enzyme pyranose 2-oxidase using protein engineering
    Dorothee M. Heckmann-Pohl, Sabine Bastian, S. Altmeier, and Iris Antes
    Journal of Biotechnology 124 (1): 26-40, 2006
  12. Refinement of homology modeled protein structures for molecular docking
    Iris Antes and Thomas Lengauer
    In: Proceedings of the 367. WE-Heraeus Seminar on Biomolecular Simulations, Bad Honnef, 2006, 1 p.
  13. 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
    Marieke Voets, Iris Antes, Christiane Scherer, Ursula Müller-Vieira, Klaus Biemel, Sandrine Marchais-Oberwinkler, and Rolf W. Hartmann
    Journal of Medicinal Chemistry 49 (7): 2222-2231, 2006
  14. DynaPred: A structure and sequence based method for the prediction of MHC class I binding peptide sequence and conformations
    Iris Antes, Shirley Weng-In Siu, and Thomas Lengauer
    Bioinformatics 22 (14): 16-24, 2006
    [PDF: Download: AntesSiuLengauer.pdf]
  15. Alternative Binding Modes of Polyproline Peptides Binding to the GYF Domain
    Wei Gu, Michael Kofler, Iris Antes, Christian Freund, and Volkhard Helms
    Biochemistry 44 (17): 6404-6415, 2005
  16. Heteroaryl-substituted naphthalenes and structurally modified derivatives: selective inhibitors of CYP11B2 for the treatment of congestive heart failure and myocardial fibrosis
    Marieke Voets, Iris Antes, C Scherer, U. Mueller-Vieira, K. Biemel, C. Barrassin, S. Marchais-Oberwinkler, and R. W. Hartmann
    Journal of Medicinal Chemistry 48 (21): 6632-6642, 2005
  17. Structural and functional analysis of a novel mutation of CYP21B in a heterozygote carrier of 21-hydroxylase deficiency
    Jörg Bojunga, Christoph Welsch, Iris Antes, Mario Albrecht, Thomas Lengauer, and Stefan Zeuzem
    Human Genetics 117 (6): 558-564, 2005
  18. Synthesis and Evaluation of Imidazolylmethylenetetrahydronaphthalenes and Imidazolylmethyleneindanes: Potent Inhibitors of Aldosterone Synthase
    Sarah Ulmschneider, Ursula Mueller-Vieira, Markus Mitrenga, Rolf W. Hartmann, S Oberwinkler-Marchais, Christian D. Klein, M. Bureik, R. Bernhardt, Iris Antes, and Thomas Lengauer
    Journal of Medicinal Chemistry 48 (6): 1796-1805, 2005
  19. Synthesis and Evaluation of Pyridylmethylene-tetrahydronaphthalenes and -indanes: Potent and Selective Inhibitors of Aldosterone Synthase (CYP11B2)
    Sarah Ulmschneider, Ursula Mueller-Vieira, Christian D. Klein, Iris Antes, Thomas Lengauer, and Rolf W. Hartmann
    Journal of Medicinal Chemistry 48 (13): 4489-4490, 2005
  20. POEM: Parameter Optimization using Ensemble Methods: Application to target specific scoring functions
    Iris Antes, Christian Merkwirth, and Thomas Lengauer
    Journal of Chemical Information and Modeling 45 (5): 1291-1302, 2005
  21. The Helmholtz Network for Bioinformatics: an integrative web portal for bioinformatics resources
    T. Crass, Iris Antes, R. Basekow, P. Bork, Christian Buning, M. Christensen, H. Claußen, C. Ebeling, P. Ernst, V. Gailus-Durner, K.-H. Glatting, R. Gohla, F. Gößling, K. Grote, K. Heidtke, A. Herrmann, S. O Keefe, O. Kießlich, S. Kolibal, J.O. Korbel, Thomas Lengauer, I. Liebich, M. van der Linden, H. Luz, K. Meissner, C. von Mering, T. Mevissen, H.-W. Mewes, H. Michael, M. Mokrejs, T. Müller, H. Pospisil, Matthias Rarey, J.G. Reich, R. Schneider, D. Schomburg, S. Schulze-Kremer, K. Schwarzer, Ingolf Sommer, S. Springstubbe, S. Suhai, G. Thoppae, M. Vingron, J. Warfsmann, T. Werner, D. Wetzler, E. Wingender, and Ralf Zimmer
    Bioinformatics 20: 268-270, 2004
  22. Docking into the homology models of CYP11B1 and CYP11B2
    Iris Antes, Thomas Lengauer, Ursula Mueller, Sarah Ulmschneider, and Rolf Hartmann
    In: Proceedings of the German Conference on Bioinformatics 2003, Munich, Germany, October12-14, 2003, 13 p.
  23. The unbinding of ATP from F1-ATPase
    Iris Antes, Hongyun Wang, David Chandler, and George Oster
    Biophysical Journal 85 (2): 695-706, 2003
  24. The formation of a β-Peptide/DPC-micelle complex studied by MD simulations
    Iris Antes and Michael L. Klein
    Poster book of the 1st Gordon Research Conference in Bioinformatics
  25. A classical dynamics study of the unbinding of ATP from the F0F1-ATPase
    Iris Antes, David Chandler, and George Oster
    In: Poster book of the European Conference on Computational Biology, Saarbrücken, Germany 2002, Saarbrücken, October, 6-9, 2002
  26. 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
    Iris Antes, Walter Thiel, and Wilfred F. Gunsteren van
    European Biophysics Jounal 31: 504-520, 2002