A fast protein-ligand docking algorithm based on hydrogen bond matching and surface shape complementarity

Journal of Molecular Modeling

Volumn 16, Issue 5, 2010, Pages 903-913

  Luo, Wenjia ^a   Pei, Jianfeng ^b,c   Zhu, Yushan ^a  

^a TSINGHUA UNIVERSITY   (China)

^b PEKING UNIVERSITY   (China)

^c PEKING UNIVERSITY   (China)

Author keywords

Combinatorial optimization; Docking; Hydrogen bond matching; Virtual screening

Indexed keywords

LIGAND; PROTEIN;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; COMBINATORIAL CHEMISTRY; CONFORMATION; CONTROLLED STUDY; GEOMETRY; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULE; PRIORITY JOURNAL; SCORING SYSTEM; SCREENING; STEREOSPECIFICITY; SURFACE PROPERTY; CASE CONTROL STUDY; CHEMISTRY; COMPUTER PROGRAM; DRUG SCREENING; HUMAN;

ALGORITHMS; CASE-CONTROL STUDIES; DRUG EVALUATION, PRECLINICAL; HUMANS; HYDROGEN BONDING; LIGANDS; MOLECULAR CONFORMATION; PROTEINS; SOFTWARE;

EID: 77953955973     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0598-7     Document Type: Article

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