Evaluation of docking performance in a blinded virtual screening of fragment-like trypsin inhibitors

Journal of Computer-Aided Molecular Design

Volumn 26, Issue 5, 2012, Pages 595-601

  Surpateanu, Georgiana ^a   Iorga, Bogdan I ^a  

^a INSTITUT DE CHIMIE DES SUBSTANCES NATURELLES   (France)

Author keywords

Docking; Fragment like compounds; Scoring function; Trypsin inhibitors; Virtual screening

Indexed keywords

DOCKING; ENRICHMENT FACTORS; FRAGMENT-LIKE COMPOUND; PERFORMANCE; SCORING FUNCTIONS; SCREENING PROTOCOL; SOFTWARE FUNCTIONS; TRAINING SETS; TRYPSIN INHIBITOR; VIRTUAL SCREENING;

LIGAND; TRYPSIN INHIBITOR;

ALGORITHM; BINDING SITE; CALCULATION; COMPUTER PROGRAM; CONFERENCE PAPER; CONFORMATION; DRUG SCREENING; DRUG STRUCTURE; MOLECULAR DOCKING; PREDICTION; PRIORITY JOURNAL; SCORING SYSTEM;

EID: 84863111119     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-011-9526-x     Document Type: Conference Paper

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