Accelerating molecular docking calculations using graphics processing units

Journal of Chemical Information and Modeling

Volumn 51, Issue 4, 2011, Pages 865-876

  Korb, Oliver ^a,b   Stützle, Thomas ^c   Exner, Thomas E ^b  

^a CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTRE   (United Kingdom)

^b UNIVERSITY OF KONSTANZ   (Germany)

^c UNIVERSITÉ LIBRE DE BRUXELLES   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

APPLICATION PROGRAMS; BIOCHEMISTRY; COMPUTER GRAPHICS; LIGANDS; MOLECULAR MODELING; PLANTS (BOTANY); PROGRAM PROCESSORS; PROTEINS;

FITNESS LANDSCAPE ANALYSIS; INTERACTION POTENTIALS; MOLECULAR CONFORMATION; MOLECULAR DOCKING; PROTEIN-BINDING SITES; PROTEIN-LIGAND DOCKING; PROTEIN-LIGAND INTERACTIONS; PROTEIN-PROTEIN DOCKING;

GRAPHICS PROCESSING UNIT;

LIGAND; PROTEIN;

ALGORITHM; ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER; COMPUTER PROGRAM; COMPUTER SIMULATION; CONFORMATION; DRUG DESIGN; PROTEIN BINDING; PROTEIN CONFORMATION;

ALGORITHMS; BINDING SITES; COMPUTER SIMULATION; COMPUTERS; DRUG DESIGN; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; SOFTWARE;

EID: 79955407842     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100459b     Document Type: Article

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