Fully automated molecular mechanics based induced fit protein - Ligand docking method

Journal of Chemical Information and Modeling

Volumn 48, Issue 10, 2008, Pages 1965-1973

  Koska, Jürgen ^a   Spassov, Velin Z ^a   Maynard, Allister J ^a   Yan, Lisa ^a   Austin, Nie ^a   Flook, Paul K ^a   Venkatachalam, C M ^a  

^a ACCELRYS INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; BIOCHEMISTRY; COMPLEXATION; LIGANDS; SITE SELECTION;

ENERGY MINIMIZATION; LIGAND CONFORMATIONS; MULTI-STEP PROCEDURES; PROTEIN CONFORMATION; PROTEIN FLEXIBILITY; PROTEIN-BINDING SITES; PROTEIN-LIGAND COMPLEXES; PROTEIN-LIGAND DOCKING;

PROTEINS;

LIGAND; PROTEIN;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION; X RAY DIFFRACTION;

ALGORITHMS; COMPUTER SIMULATION; LIGANDS; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; STRUCTURE-ACTIVITY RELATIONSHIP; X-RAY DIFFRACTION;

EID: 56449127496     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800081s     Document Type: Article

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