Optimization of molecular docking scores with support vector rank regression

Proteins: Structure, Function and Bioinformatics

Volumn 81, Issue 8, 2013, Pages 1386-1398

  Wang, Wei ^a   He, Wanlin ^a   Zhou, Xi ^a   Chen, Xin ^a  

^a ZHEJIANG UNIVERSITY   (China)

Author keywords

Conformation prediction; Library screening; Molecular docking; Scoring function; Support vector rank regression

Indexed keywords

LIGAND;

ACCURACY; ALGORITHM; ARTICLE; COMPUTER PROGRAM; CONFORMATION; MOLECULAR DOCKING; MOLECULAR LIBRARY; PREDICTION; PRIORITY JOURNAL; PROCESS OPTIMIZATION; PROTEIN BINDING; PROTEIN STRUCTURE; SCORING SYSTEM; SCREENING; SUPPORT VECTOR MACHINE;

CONFORMATION PREDICTION; LIBRARY SCREENING; MOLECULAR DOCKING; SCORING FUNCTION; SUPPORT VECTOR RANK REGRESSION;

ALGORITHMS; DATABASES, PROTEIN; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS;

EID: 84880698928     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.24282     Document Type: Article

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