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There are 7783 results for: content related to: High-throughput virtual molecular docking with AutoDockCloud

  1. Accelerating virtual high-throughput ligand docking: current technology and case study on a petascale supercomputer

    Concurrency and Computation: Practice and Experience

    Volume 26, Issue 6, 25 April 2014, Pages: 1268–1277, Sally R. Ellingson, Sivanesan Dakshanamurthy, Milton Brown, Jeremy C. Smith and Jerome Baudry

    Version of Record online : 20 JUN 2013, DOI: 10.1002/cpe.3070

  2. LigDockCSA: Protein–ligand docking using conformational space annealing

    Journal of Computational Chemistry

    Volume 32, Issue 15, 30 November 2011, Pages: 3226–3232, Woong-Hee Shin, Lim Heo, Juyong Lee, Junsu Ko, Chaok Seok and Jooyoung Lee

    Version of Record online : 12 AUG 2011, DOI: 10.1002/jcc.21905

  3. Hierarchical MapReduce: towards simplified cross-domain data processing

    Concurrency and Computation: Practice and Experience

    Volume 26, Issue 4, 25 March 2014, Pages: 878–893, Yuan Luo, Beth Plale, Zhenhua Guo, Wilfred W. Li, Judy Qiu and Yiming Sun

    Version of Record online : 24 SEP 2012, DOI: 10.1002/cpe.2929

  4. A multi-infrastructure gateway for virtual drug screening

    Concurrency and Computation: Practice and Experience

    Volume 27, Issue 16, November 2015, Pages: 4478–4490, Mohammad Mahdi Jaghoori, Allard J. van Altena, Boris Bleijlevens, Sara Ramezani, Juan Luis Font and Silvia D. Olabarriaga

    Version of Record online : 21 MAY 2015, DOI: 10.1002/cpe.3498

  5. You have free access to this content
    AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

    Journal of Computational Chemistry

    Volume 30, Issue 16, December 2009, Pages: 2785–2791, Garrett M. Morris, Ruth Huey, William Lindstrom, Michel F. Sanner, Richard K. Belew, David S. Goodsell and Arthur J. Olson

    Version of Record online : 27 APR 2009, DOI: 10.1002/jcc.21256

  6. 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

  7. Prediction of noncovalent Drug/DNA interaction using computational docking models: Studies with over 1350 launched drugs

    Environmental and Molecular Mutagenesis

    Volume 54, Issue 8, October 2013, Pages: 668–681, Ronald D. Snyder, Patrick A. Holt, Jon M. Maguire and John O. Trent

    Version of Record online : 26 JUL 2013, DOI: 10.1002/em.21796

  8. Assessment of programs for ligand binding affinity prediction

    Journal of Computational Chemistry

    Volume 29, Issue 8, June 2008, Pages: 1316–1331, Ryangguk Kim and Jeffrey Skolnick

    Version of Record online : 2 JAN 2008, DOI: 10.1002/jcc.20893

  9. 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

  10. Using AutoDock for Ligand-Receptor Docking

    Unit

    Current Protocols in Bioinformatics

    8:8.14.1–8.14.40

    Garrett M. Morris, Ruth Huey and Arthur J. Olson

    Published Online : 1 DEC 2008, DOI: 10.1002/0471250953.bi0814s24

  11. Molecular Docking Study Based on Pharmacophore Modeling for Novel PhosphodiesteraseIV Inhibitors

    Molecular Informatics

    Volume 31, Issue 6-7, July 2012, Pages: 459–471, Gülşah Çifci, Viktorya Aviyente and E. Demet Akten

    Version of Record online : 11 JUL 2012, DOI: 10.1002/minf.201100141

  12. A New, Improved Hybrid Scoring Function for Molecular Docking and Scoring Based on AutoDock and AutoDock Vina

    Chemical Biology & Drug Design

    Volume 87, Issue 4, April 2016, Pages: 618–625, Vsevolod Yu Tanchuk, Volodymyr O. Tanin, Andriy I. Vovk and Gennady Poda

    Version of Record online : 29 DEC 2015, DOI: 10.1111/cbdd.12697

  13. Research Article: pso@autodock: A Fast Flexible Molecular Docking Program Based on Swarm Intelligence

    Chemical Biology & Drug Design

    Volume 70, Issue 6, December 2007, Pages: 475–484, Vigneshwaran Namasivayam and Robert Günther

    Version of Record online : 6 NOV 2007, DOI: 10.1111/j.1747-0285.2007.00588.x

  14. Critical assessment of the automated AutoDock as a new docking tool for virtual screening

    Proteins: Structure, Function, and Bioinformatics

    Volume 65, Issue 3, 15 November 2006, Pages: 549–554, Hwangseo Park, Jinuk Lee and Sangyoub Lee

    Version of Record online : 20 SEP 2006, DOI: 10.1002/prot.21183

  15. AutoGrow: A Novel Algorithm for Protein Inhibitor Design

    Chemical Biology & Drug Design

    Volume 73, Issue 2, February 2009, Pages: 168–178, Jacob D. Durrant, Rommie E. Amaro and J. Andrew McCammon

    Version of Record online : 22 JAN 2009, DOI: 10.1111/j.1747-0285.2008.00761.x

  16. Accounting for ligand-bound metal ions in docking small molecules on adenylyl cyclase toxins

    Proteins: Structure, Function, and Bioinformatics

    Volume 67, Issue 3, 15 May 2007, Pages: 593–605, Deliang Chen, Gerd Menche, Trevor D. Power, Laurie Sower, Johnny W. Peterson and Catherine H. Schein

    Version of Record online : 20 FEB 2007, DOI: 10.1002/prot.21249

  17. Modeling of Cdc25B Dual Specifity Protein Phosphatase Inhibitors: Docking of Ligands and Enzymatic Inhibition Mechanism

    ChemMedChem

    Volume 1, Issue 5, May 12, 2006, Pages: 540–550, Antonio Lavecchia, Sandro Cosconati, Vittorio Limongelli and Ettore Novellino

    Version of Record online : 20 APR 2006, DOI: 10.1002/cmdc.200500092

  18. Improving scoring-docking-screening powers of protein–ligand scoring functions using random forest

    Journal of Computational Chemistry

    Volume 38, Issue 3, January 30, 2017, Pages: 169–177, Cheng Wang and Yingkai Zhang

    Version of Record online : 17 NOV 2016, DOI: 10.1002/jcc.24667

  19. You have free access to this content
    Toward prediction of functional protein pockets using blind docking and pocket search algorithms

    Protein Science

    Volume 20, Issue 5, May 2011, Pages: 880–893, Csaba Hetényi and David van der Spoel

    Version of Record online : 30 MAR 2011, DOI: 10.1002/pro.618

  20. Large-scale virtual screening experiments on Windows Azure-based cloud resources

    Concurrency and Computation: Practice and Experience

    Volume 26, Issue 10, July 2014, Pages: 1760–1770, Tamas Kiss, Peter Borsody, Gabor Terstyanszky, Stephen Winter, Pamela Greenwell, Sharron McEldowney and Hans Heindl

    Version of Record online : 4 SEP 2013, DOI: 10.1002/cpe.3113