Evaluation and application of multiple scoring functions for a virtual screening experiment

Journal of Computer-Aided Molecular Design

Volumn 18, Issue 5, 2004, Pages 333-344

  Xing, Li ^a,c   Hodgkin, Edward ^a   Liu, Qian ^a   Sedlock, David ^b  

^a TRIPOS INC   (United States)

^b MILLENNIUM PHARMACEUTICALS INC   (United States)

^c PFIZER INC   (United States)

Author keywords

Binding affinity; Docking; Protein ligand interactions; Scoring function; Virtual screening

Indexed keywords

FUNCTION EVALUATION;

BINDING AFFINITIES; CHEMICAL CLASS; CONSENSUS SCORING; DOCKING; FACTOR XA INHIBITOR; HIT RATE; PROTEIN-LIGAND INTERACTIONS; SCORING FUNCTIONS; SCREENING EXPERIMENTS; VIRTUAL SCREENING;

BINDING ENERGY;

BLOOD CLOTTING FACTOR 10A INHIBITOR; BLOOD CLOTTING FACTOR 10A; LIGAND;

ALGORITHM; ARTICLE; BINDING AFFINITY; CRYSTAL STRUCTURE; EXPERIMENT; PRIORITY JOURNAL; PROTEIN INTERACTION; SCORING SYSTEM; SCREENING; VIRTUAL REALITY; X RAY CRYSTALLOGRAPHY; ANIMAL; CHEMICAL STRUCTURE; COMPUTER PROGRAM; COMPUTER SIMULATION; DRUG ANTAGONISM; HUMAN;

ANIMALS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; FACTOR XA; HUMANS; LIGANDS; MODELS, MOLECULAR; SOFTWARE;

EID: 16644376474     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1023/B:JCAM.0000047812.39758.ab     Document Type: Article

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