Efficient inclusion of receptor flexibility in grid-based protein-ligand docking

Journal of Computational Chemistry

Volumn 32, Issue 16, 2011, Pages 3433-3439

  Leis, Simon ^a   Zacharias, Martin ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

flexible receptor docking; global flexibility; normal mode analysis; protein ligand docking; virtual screening

Indexed keywords

FLEXIBLE RECEPTOR DOCKING; GLOBAL FLEXIBILITY; NORMAL MODE ANALYSIS; PROTEIN-LIGAND DOCKING; VIRTUAL SCREENING;

ENZYMES; LIGANDS; MOLECULES;

PROTEINS;

CELL SURFACE RECEPTOR; CYCLIC AMP DEPENDENT PROTEIN KINASE; LIGAND; PROTEIN KINASE INHIBITOR;

ALGORITHM; ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; DRUG ANTAGONISM; METABOLISM; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; COMPUTATIONAL BIOLOGY; CYCLIC AMP-DEPENDENT PROTEIN KINASES; LIGANDS; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEIN KINASE INHIBITORS; RECEPTORS, CELL SURFACE; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 80054707836     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21923     Document Type: Article

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