Ligand Pose and Orientational Sampling in Molecular Docking

PLoS ONE

Volumn 8, Issue 10, 2013, Pages

  Coleman, Ryan G ^a   Carchia, Michael ^a   Sterling, Teague ^a   Irwin, John J ^b   Shoichet, Brian K ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF TORONTO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHM; AREA UNDER THE CURVE; ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; COMPLEX FORMATION; FALSE NEGATIVE RESULT; GEOMETRY; HYDROPHOBICITY; MOLECULAR DOCKING; PROTEIN CONFORMATION; RECEIVER OPERATING CHARACTERISTIC; SCORING SYSTEM; STOCHASTIC MODEL;

ALGORITHMS; COMPUTER GRAPHICS; LIGANDS; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; PHENOLS; THERMODYNAMICS;

EID: 84885035566     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0075992     Document Type: Article

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