On the characterization and selection of diverse conformational ensembles with applications to flexible docking

IEEE/ACM Transactions on Computational Biology and Bioinformatics

Volumn 8, Issue 2, 2011, Pages 487-498

  Loriot, Sébastien ^a   Sachdeva, Sushant ^b   Bastard, Karine ^c   Prévost, Chantal ^d   Cazals, Frédéric ^a  

^a INRIA   (France)

^b Princeton University   (United States)

^c UNIVERSITÉ DE NANTES   (France)

^d CNRS   (France)

Author keywords

conformer selection; Flexibility; flexible docking; geometric optimization; molecular surface area (MSA); Van der Waals models

Indexed keywords

CONFORMER SELECTION; FLEXIBILITY; FLEXIBLE DOCKING; GEOMETRIC OPTIMIZATION; MOLECULAR SURFACE AREA; VAN DER WAALS;

ALGORITHMS; DOCKING; OPTIMIZATION; VAN DER WAALS FORCES;

GEOMETRY;

PROTEIN;

ALGORITHM; ARTICLE; BINDING SITE; BIOLOGY; CHEMISTRY; PROTEIN CONFORMATION;

ALGORITHMS; BINDING SITES; COMPUTATIONAL BIOLOGY; PROTEIN CONFORMATION; PROTEINS;

EID: 79551663957     PISSN: 15455963     EISSN: None     Source Type: Journal    
DOI: 10.1109/TCBB.2009.59     Document Type: Article

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