QuickVina: Accelerating AutoDock Vina using gradient-based heuristics for global optimization

IEEE/ACM Transactions on Computational Biology and Bioinformatics

Volumn 9, Issue 5, 2012, Pages 1266-1272

  Handoko, Stephanus Daniel ^a   Ouyang, Xuchang ^a   Su, Chinh Tran To ^a   Kwoh, Chee Keong ^a   Ong, Yew Soon ^a  

^a NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

Author keywords

Artificial intelligence; bioinformatics; global optimization; gradient methods

Indexed keywords

AUTODOCK; BINDING AFFINITIES; BINDING MODES; DRUG DESIGN; GLOBAL OPTIMIZER; GRADIENT BASED; ITERATED LOCAL SEARCH; LOCAL SEARCH; LOCAL SEARCH ALGORITHM; MAXIMUM ACCELERATION; PROTEIN-LIGAND COMPLEXES; SCORING FUNCTIONS; SMALL MOLECULES; TIME FRAME;

ARTIFICIAL INTELLIGENCE; BINDING ENERGY; BIOINFORMATICS; COMPLEXATION; GRADIENT METHODS; MOLECULES;

GLOBAL OPTIMIZATION;

LIGAND; PROTEIN;

ALGORITHM; ARTICLE; BINDING SITE; CHEMISTRY; COMPUTER PROGRAM; DRUG DESIGN; METABOLISM; THERMODYNAMICS;

ALGORITHMS; BINDING SITES; DRUG DESIGN; LIGANDS; PROTEINS; SOFTWARE; THERMODYNAMICS;

EID: 84864948908     PISSN: 15455963     EISSN: None     Source Type: Journal    
DOI: 10.1109/TCBB.2012.82     Document Type: Article

References (13)

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