Optimization of compound ranking for structure-based virtual ligand screening using an established FRED-surflex consensus approach

Chemical Biology and Drug Design

Volumn 83, Issue 1, 2014, Pages 37-51

  Du, Jiangfeng ^a   Bleylevens, Ivo W M ^b   Bitorina, Albert V ^a   Wichapong, Kanin ^a   Nicolaes, Gerry A F ^a  

^a MAASTRICHT UNIVERSITY   (Netherlands)

^b MAASTRICHT UNIVERSITY   (Netherlands)

Author keywords

consensus scoring; drug design; ensemble docking; SB VLS; virtual ligand screening

Indexed keywords

AREA UNDER THE CURVE; ARTICLE; BINDING AFFINITY; BINDING SITE; COMPUTER PROGRAM; CONTROLLED STUDY; DRUG DESIGN; MOLECULAR DOCKING; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STRUCTURE; SCREENING; STRUCTURE BASED VIRTUAL LIGAND SCREENING;

CONSENSUS SCORING; DRUG DESIGN; ENSEMBLE DOCKING; SB-VLS; VIRTUAL LIGAND SCREENING;

DRUG DESIGN; MOLECULAR DOCKING SIMULATION; PROTEIN STRUCTURE, TERTIARY; PROTEINS; ROC CURVE; SOFTWARE;

EID: 84891489378     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/cbdd.12202     Document Type: Article

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