Lessons learned in empirical scoring with smina from the CSAR 2011 benchmarking exercise

Journal of Chemical Information and Modeling

Volumn 53, Issue 8, 2013, Pages 1893-1904

  Koes, David Ryan ^a   Baumgartner, Matthew P ^a   Camacho, Carlos J ^a  

^a UNIVERSITY OF PITTSBURGH SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ENGINEERING; CHEMISTRY;

COMMUNITY STRUCTURES; DESIGN AND APPLICATION; GENERAL METHOD; GENERAL METHODOLOGIES; HIGH THROUGHPUT; INTERACTION TERM; PUTATIVE LIGANDS; SCORING FUNCTIONS;

BENCHMARKING;

ARTICLE; DRUG DATABASE; DRUG DEVELOPMENT; METHODOLOGY; MOLECULAR DOCKING; PROTEIN CONFORMATION; QUALITY CONTROL; STRUCTURE ACTIVITY RELATION; PROCEDURES;

BENCHMARKING; DATABASES, PHARMACEUTICAL; DRUG DISCOVERY; MOLECULAR DOCKING SIMULATION; PROTEIN CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84883247468     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300604z     Document Type: Article

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