Choosing the Optimal Rigid Receptor for Docking and Scoring in the CSAR 2013/2014 Experiment

Matthew P. Baumgartner; Carlos J. Camacho

doi:10.1021/acs.jcim.5b00338

Choosing the Optimal Rigid Receptor for Docking and Scoring in the CSAR 2013/2014 Experiment

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.5b00338 ◽

2015 ◽

Vol 56 (6) ◽

pp. 1004-1012 ◽

Cited By ~ 15

Author(s):

Matthew P. Baumgartner ◽

Carlos J. Camacho

Keyword(s):

Docking And Scoring

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Prediction of Protein−Ligand Interactions. Docking and Scoring: Successes and Gaps

Journal of Medicinal Chemistry ◽

10.1021/jm060999m ◽

2006 ◽

Vol 49 (20) ◽

pp. 5851-5855 ◽

Cited By ~ 425

Author(s):

Andrew R. Leach ◽

Brian K. Shoichet ◽

Catherine E. Peishoff

Keyword(s):

Protein Ligand Interactions ◽

Ligand Interactions ◽

Docking And Scoring

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Virtual fragment screening: an exploration of various docking and scoring protocols for fragments using Glide

Journal of Computer-Aided Molecular Design ◽

10.1007/s10822-009-9281-4 ◽

2009 ◽

Vol 23 (8) ◽

pp. 527-539 ◽

Cited By ~ 62

Author(s):

Sameer Kawatkar ◽

Hongming Wang ◽

Ryszard Czerminski ◽

Diane Joseph-McCarthy

Keyword(s):

Fragment Screening ◽

Docking And Scoring

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An Analysis of Critical Factors Affecting Docking and Scoring

Virtual Screening in Drug Discovery ◽

10.1201/9781420028775-7 ◽

2005 ◽

pp. 73-114

Keyword(s):

Critical Factors ◽

Factors Affecting ◽

Docking And Scoring

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Docking and scoring protein complexes: CAPRI 3rd Edition

Proteins Structure Function and Bioinformatics ◽

10.1002/prot.21804 ◽

2007 ◽

Vol 69 (4) ◽

pp. 704-718 ◽

Cited By ~ 226

Author(s):

Marc F. Lensink ◽

Raúl Méndez ◽

Shoshana J. Wodak

Keyword(s):

Protein Complexes ◽

Docking And Scoring

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Docking and scoring with alternative side-chain conformations

Proteins Structure Function and Bioinformatics ◽

10.1002/prot.22189 ◽

2009 ◽

Vol 74 (3) ◽

pp. 712-726 ◽

Cited By ~ 22

Author(s):

Christoph Hartmann ◽

Iris Antes ◽

Thomas Lengauer

Keyword(s):

Side Chain ◽

Docking And Scoring ◽

Chain Conformations

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Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes

Journal of Medicinal Chemistry ◽

10.1021/jm051256o ◽

2006 ◽

Vol 49 (21) ◽

pp. 6177-6196 ◽

Cited By ~ 2768

Author(s):

Richard A. Friesner ◽

Robert B. Murphy ◽

Matthew P. Repasky ◽

Leah L. Frye ◽

Jeremy R. Greenwood ◽

...

Keyword(s):

Glide Docking ◽

Docking And Scoring

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Docking and Scoring

Comprehensive Medicinal Chemistry II ◽

10.1016/b0-08-045044-x/00253-4 ◽

2007 ◽

pp. 255-281

Author(s):

P.F.W. Stouten ◽

R.T. Kroemer

Keyword(s):

Docking And Scoring

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Dock around the Clock – Current Status of Small Molecule Docking and Scoring

QSAR & Combinatorial Science ◽

10.1002/qsar.200510183 ◽

2006 ◽

Vol 25 (7) ◽

pp. 605-615 ◽

Cited By ~ 30

Author(s):

Ulrich Rester

Keyword(s):

Small Molecule ◽

Current Status ◽

Docking And Scoring ◽

Molecule Docking

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Benchmarking docking and scoring protocol for the identification of potential acetylcholinesterase inhibitors

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2010.03.007 ◽

2010 ◽

Vol 28 (8) ◽

pp. 870-882 ◽

Cited By ~ 15

Author(s):

Zaheer-ul-Haq ◽

Sobia Ahsan Halim ◽

Reaz Uddin ◽

Jeffry D. Madura

Keyword(s):

Acetylcholinesterase Inhibitors ◽

Docking And Scoring

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Docking and Scoring - Theoretically Easy, Practically Impossible?

Current Medicinal Chemistry ◽

10.2174/092986706778521797 ◽

2006 ◽

Vol 13 (25) ◽

pp. 2995-3003 ◽

Cited By ~ 63

Author(s):

Bentham Science Publisher Bentham Science Publisher

Keyword(s):

Docking And Scoring

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