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There are 71722 results for: content related to: Systematic and efficient side chain optimization for molecular docking using a cheapest-path procedure

  1. Outstanding challenges in protein–ligand docking and structure-based virtual screening

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 1, Issue 2, March/April 2011, Pages: 229–259, Bohdan Waszkowycz, David E. Clark and Emanuela Gancia

    Version of Record online : 16 MAR 2011, DOI: 10.1002/wcms.18

  2. Docking and Scoring in Drug Discovery

    Standard Article

    Burger's Medicinal Chemistry and Drug Discovery

    Francesca Spyrakis, Pietro Cozzini and Glen Eugene Kellogg

    Published Online : 15 SEP 2010, DOI: 10.1002/0471266949.bmc140

  3. Docking and Scoring for Structure-based Drug Design

    Bioinformatics - From Genomes to Therapies

    Matthias Rarey, Jörg Degen, Ingo Reulecke, Pages: 541–599, 2008

    Published Online : 5 FEB 2008, DOI: 10.1002/9783527619368.ch16

  4. Receptor flexibility in small-molecule docking calculations

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 1, Issue 2, March/April 2011, Pages: 298–314, Daria B. Kokh, Rebecca C. Wade and Wolfgang Wenzel

    Version of Record online : 17 MAR 2011, DOI: 10.1002/wcms.29

  5. Combining docking and molecular dynamic simulations in drug design

    Medicinal Research Reviews

    Volume 26, Issue 5, September 2006, Pages: 531–568, Hernán Alonso, Andrey A. Bliznyuk and Jill E. Gready

    Version of Record online : 6 JUN 2006, DOI: 10.1002/med.20067

  6. Screening a peptidyl database for potential ligands to proteins with side-chain flexibility

    Proteins: Structure, Function, and Bioinformatics

    Volume 33, Issue 1, 1 October 1998, Pages: 74–87, Volker Schnecke, Craig A. Swanson, Elizabeth D. Getzoff, John A. Tainer and Leslie A. Kuhn

    Version of Record online : 7 DEC 1998, DOI: 10.1002/(SICI)1097-0134(19981001)33:1<74::AID-PROT7>3.0.CO;2-L

  7. MDockPP: A hierarchical approach for protein-protein docking and its application to CAPRI rounds 15–19

    Proteins: Structure, Function, and Bioinformatics

    Volume 78, Issue 15, 15 November 2010, Pages: 3096–3103, Sheng-You Huang and Xiaoqin Zou

    Version of Record online : 10 JUN 2010, DOI: 10.1002/prot.22797

  8. Protein–protein docking dealing with the unknown

    Journal of Computational Chemistry

    Volume 31, Issue 2, 30 January 2010, Pages: 317–342, Irina S. Moreira, Pedro A. Fernandes and Maria J. Ramos

    Version of Record online : 21 MAY 2009, DOI: 10.1002/jcc.21276

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    Side-chain flexibility in protein–ligand binding: The minimal rotation hypothesis

    Protein Science

    Volume 14, Issue 4, April 2005, Pages: 1104–1114, Maria I. Zavodszky and Leslie A. Kuhn

    Version of Record online : 1 JAN 2009, DOI: 10.1110/ps.041153605

  10. Ensemble docking of multiple protein structures: Considering protein structural variations in molecular docking

    Proteins: Structure, Function, and Bioinformatics

    Volume 66, Issue 2, 1 February 2007, Pages: 399–421, Sheng-You Huang and Xiaoqin Zou

    Version of Record online : 9 NOV 2006, DOI: 10.1002/prot.21214

  11. Modeling Protein-Protein and Protein-DNA Docking

    Bioinformatics - From Genomes to Therapies

    Andreas Hildebrandt, Oliver Kohlbacher, Hans-Peter Lenhof, Pages: 601–650, 2008

    Published Online : 5 FEB 2008, DOI: 10.1002/9783527619368.ch17

  12. FireDock: Fast interaction refinement in molecular docking

    Proteins: Structure, Function, and Bioinformatics

    Volume 69, Issue 1, October 2007, Pages: 139–159, Nelly Andrusier, Ruth Nussinov and Haim J. Wolfson

    Version of Record online : 27 JUN 2007, DOI: 10.1002/prot.21495

  13. You have free access to this content
    Protein–protein docking with a reduced protein model accounting for side-chain flexibility

    Protein Science

    Volume 12, Issue 6, June 2003, Pages: 1271–1282, Martin Zacharias

    Version of Record online : 1 JAN 2009, DOI: 10.1110/ps.0239303

  14. Docking and Scoring Functions/Virtual Screening

    Standard Article

    Burger's Medicinal Chemistry and Drug Discovery

    Christoph Sotriffer, Gerhard Klebe, Martin Stahl and Hans-Joachim Böhm

    Published Online : 15 JAN 2003, DOI: 10.1002/0471266949.bmc007

  15. PRL-dock: Protein-ligand docking based on hydrogen bond matching and probabilistic relaxation labeling

    Proteins: Structure, Function, and Bioinformatics

    Volume 80, Issue 9, August 2012, Pages: 2137–2153, Meng-Yun Wu, Dao-Qing Dai and Hong Yan

    Version of Record online : 4 JUN 2012, DOI: 10.1002/prot.24104

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    On the analysis of protein–protein interactions via knowledge-based potentials for the prediction of protein–protein docking

    Protein Science

    Volume 20, Issue 3, March 2011, Pages: 529–541, Elisenda Feliu, Patrick Aloy and Baldo Oliva

    Version of Record online : 24 FEB 2011, DOI: 10.1002/pro.585

  17. Side-chain flexibility in proteins upon ligand binding

    Proteins: Structure, Function, and Bioinformatics

    Volume 39, Issue 3, 15 May 2000, Pages: 261–268, Rafael Najmanovich, Josef Kuttner, Vladimir Sobolev and Marvin Edelman

    Version of Record online : 24 MAR 2000, DOI: 10.1002/(SICI)1097-0134(20000515)39:3<261::AID-PROT90>3.0.CO;2-4

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    Principles of flexible protein–protein docking

    Proteins: Structure, Function, and Bioinformatics

    Volume 73, Issue 2, 1 November 2008, Pages: 271–289, Nelly Andrusier, Efrat Mashiach, Ruth Nussinov and Haim J. Wolfson

    Version of Record online : 24 JUL 2008, DOI: 10.1002/prot.22170

  19. Principles of docking: An overview of search algorithms and a guide to scoring functions

    Proteins: Structure, Function, and Bioinformatics

    Volume 47, Issue 4, 1 June 2002, Pages: 409–443, Inbal Halperin, Buyong Ma, Haim Wolfson and Ruth Nussinov

    Version of Record online : 9 APR 2002, DOI: 10.1002/prot.10115

  20. Docking and scoring with alternative side-chain conformations

    Proteins: Structure, Function, and Bioinformatics

    Volume 74, Issue 3, 15 February 2009, Pages: 712–726, Christoph Hartmann, Iris Antes and Thomas Lengauer

    Version of Record online : 14 AUG 2008, DOI: 10.1002/prot.22189