Numerical errors and chaotic behavior in docking simulations

Journal of Chemical Information and Modeling

Volumn 52, Issue 3, 2012, Pages 724-738

  Feher, Miklos ^a   Williams, Christopher I ^b  

^a PRINCESS MARGARET HOSPITAL   (Canada)

^b Chemical Computing Group   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; LIGANDS; NORMAL DISTRIBUTION;

CHAOTIC BEHAVIORS; DOCKING ALGORITHMS; DOCKING PROGRAMS; DOCKING SIMULATIONS; LIGAND CONFORMATIONS; NUMERICAL ERRORS; NUMERICAL SENSITIVITY; VIRTUAL SCREENING;

SENSITIVITY ANALYSIS;

LIGAND; PROTEIN KINASE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; METABOLISM; METHODOLOGY; NONLINEAR SYSTEM; PROTEIN BINDING; PROTEIN CONFORMATION;

LIGANDS; MODELS, MOLECULAR; NONLINEAR DYNAMICS; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN KINASES; RESEARCH DESIGN;

EID: 84859192649     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200598m     Document Type: Article

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