Rapid shape-based ligand alignment and virtual screening method based on atom/feature-pair similarities and volume overlap scoring

Journal of Chemical Information and Modeling

Volumn 51, Issue 10, 2011, Pages 2455-2466

  Sastry, G Madhavi ^a   Dixon, Steven L ^a   Sherman, Woody ^a  

^a SCHRÖDINGER INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; DATABASE SYSTEMS; LIGANDS; QUERY PROCESSING;

ACTIVE COMPOUNDS; ATOM DISTRIBUTION; COMPUTER AIDED DRUG DESIGN; DATABASE SCREENINGS; FLEXIBLE LIGANDS; MULTIPLE PARAMETERS; QUERY STRUCTURES; VIRTUAL SCREENING;

CRYSTAL ATOMIC STRUCTURE;

LIGAND;

ARTICLE; CHEMICAL STRUCTURE; COMPUTER INTERFACE; CONFORMATION; DRUG SCREENING; FACTUAL DATABASE; METHODOLOGY; THERMODYNAMICS; TIME;

DATABASES, FACTUAL; DRUG EVALUATION, PRECLINICAL; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; THERMODYNAMICS; TIME FACTORS; USER-COMPUTER INTERFACE;

EID: 80054905079     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci2002704     Document Type: Article

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