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There are 36764 results for: content related to: Molecular Docking Using Grid Computing

  1. Improvements, trends, and new ideas in molecular docking: 2012–2013 in review

    Journal of Molecular Recognition

    Volume 28, Issue 10, October 2015, Pages: 581–604, Elizabeth Yuriev, Jessica Holien and Paul A. Ramsland

    Version of Record online : 21 MAR 2015, DOI: 10.1002/jmr.2471

  2. Small Molecule Docking and Scoring

    Reviews in Computational Chemistry, Volume 17

    Ingo Muegge, Matthias Rarey, Pages: 1–60, 2001

    Published Online : 26 DEC 2001, DOI: 10.1002/0471224413.ch1

  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. Protein–Ligand Docking with Evolutionary Algorithms

    Computational Intelligence in Bioinformatics

    Gary B. Fogel, David W. Corne, Yi Pan, Pages: 167–195, 2007

    Published Online : 14 MAY 2007, DOI: 10.1002/9780470199091.ch8

  5. Message passing interface and multithreading hybrid for parallel molecular docking of large databases on petascale high performance computing machines

    Journal of Computational Chemistry

    Volume 34, Issue 11, 30 April 2013, Pages: 915–927, Xiaohua Zhang, Sergio E. Wong and Felice C. Lightstone

    Version of Record online : 23 JAN 2013, DOI: 10.1002/jcc.23214

  6. 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

  7. 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

  8. You have free access to this content
    Abstracts of the 29th Annual Symposium of The Protein Society

    Protein Science

    Volume 24, Issue S1, October 2015, Pages: 1–313,

    Version of Record online : 28 OCT 2015, DOI: 10.1002/pro.2823

  9. Molecular docking towards drug discovery

    Journal of Molecular Recognition

    Volume 9, Issue 2, March/April 1996, Pages: 175–186, Daniel A. Gschwend, Andrew C. Good and Irwin D. Kuntz

    Version of Record online : 7 MAY 1999, DOI: 10.1002/(SICI)1099-1352(199603)9:2<175::AID-JMR260>3.0.CO;2-D

  10. Mining flexible-receptor molecular docking data

    Wiley Interdisciplinary Reviews: Data Mining and Knowledge Discovery

    Volume 1, Issue 6, November/December 2011, Pages: 532–541, Karina S. Machado, Ana T. Winck, Duncan D. Ruiz and Osmar Norberto de Souza

    Version of Record online : 19 AUG 2011, DOI: 10.1002/widm.46

  11. Comparative Analysis of Various Electrostatic Potentials on Docking Precision Against Cyclin-Dependent Kinase 2 Protein: A Multiple Docking Approach

    Chemical Biology & Drug Design

    Volume 85, Issue 2, February 2015, Pages: 107–118, Sunil K. Tripathi, Rajendran Naga Soundarya, Poonam Singh and Sanjeev K. Singh

    Version of Record online : 12 JUL 2014, DOI: 10.1111/cbdd.12376

  12. FIPSDock: A new molecular docking technique driven by fully informed swarm optimization algorithm

    Journal of Computational Chemistry

    Volume 34, Issue 1, 5 January 2013, Pages: 67–75, Yu Liu, Lei Zhao, Wentao Li, Dongyu Zhao, Miao Song and Yongliang Yang

    Version of Record online : 7 SEP 2012, DOI: 10.1002/jcc.23108

  13. 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

  14. CovalentDock: Automated covalent docking with parameterized covalent linkage energy estimation and molecular geometry constraints

    Journal of Computational Chemistry

    Volume 34, Issue 4, 5 February 2013, Pages: 326–336, Xuchang Ouyang, Shuo Zhou, Chinh Tran To Su, Zemei Ge, Runtao Li and Chee Keong Kwoh

    Version of Record online : 4 OCT 2012, DOI: 10.1002/jcc.23136

  15. The Virtual Laboratory: a toolset to enable distributed molecular modelling for drug design on the World-Wide Grid

    Concurrency and Computation: Practice and Experience

    Volume 15, Issue 1, January 2003, Pages: 1–25, Rajkumar Buyya, Kim Branson, Jon Giddy and David Abramson

    Version of Record online : 6 JAN 2003, DOI: 10.1002/cpe.704

  16. DOCK 6: Impact of new features and current docking performance

    Journal of Computational Chemistry

    Volume 36, Issue 15, June 5, 2015, Pages: 1132–1156, William J. Allen, Trent E. Balius, Sudipto Mukherjee, Scott R. Brozell, Demetri T. Moustakas, P. Therese Lang, David A. Case, Irwin D. Kuntz and Robert C. Rizzo

    Version of Record online : 27 APR 2015, DOI: 10.1002/jcc.23905

  17. NMR-Assisted Molecular Docking Methodologies

    Molecular Informatics

    Volume 34, Issue 8, August 2015, Pages: 513–525, Mattia Sturlese, Massimo Bellanda and Stefano Moro

    Version of Record online : 19 JUN 2015, DOI: 10.1002/minf.201500012

  18. Systematic and efficient side chain optimization for molecular docking using a cheapest-path procedure

    Journal of Computational Chemistry

    Volume 34, Issue 14, 30 May 2013, Pages: 1258–1269, Marcel Schumann and Roger S. Armen

    Version of Record online : 19 FEB 2013, DOI: 10.1002/jcc.23251

  19. Next challenges in protein–protein docking: from proteome to interactome and beyond

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 2, Issue 4, July/August 2012, Pages: 642–651, Adrien S.J. Melquiond, Ezgi Karaca, Panagiotis L. Kastritis and Alexandre M.J.J. Bonvin

    Version of Record online : 28 SEP 2011, DOI: 10.1002/wcms.91

  20. You have free access to this content
    Flexible ligand docking using conformational ensembles

    Protein Science

    Volume 7, Issue 4, April 1998, Pages: 938–950, David M. Lorber and Brian K. Shoichet

    Version of Record online : 31 DEC 2008, DOI: 10.1002/pro.5560070411