Improved flexible refinement of protein docking in CAPRI rounds 22-27

Proteins: Structure, Function and Bioinformatics

Volumn 81, Issue 12, 2013, Pages 2129-2136

  Shen, Yang ^a  

^a TOYOTA TECHNOLOGICAL INSTITUTE AT CHICAGO   (United States)

Author keywords

Continuum electrostatics; Energy funnel; Free energy minimization; Hierarchical optimization; Normal modes; Protein docking; Protein flexibility; Sloppy modes; Structural refinement

Indexed keywords

DOCKING PROTEIN; FERREDOXIN; LYSOZYME; METHYLTRANSFERASE; OXYGENASE; ZINOSTATIN;

ACCURACY; ARTICLE; COMPUTER PREDICTION; CRITICAL ASSESSMENT OF PREDICTION OF INTERACTIONS; CRYSTAL STRUCTURE; ENZYME ACTIVE SITE; GEOBACILLUS STEAROTHERMOPHILUS; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN PROTEIN INTERACTION; SOLVATION; X RAY CRYSTALLOGRAPHY;

CONTINUUM ELECTROSTATICS; ENERGY FUNNEL; FREE ENERGY MINIMIZATION; HIERARCHICAL OPTIMIZATION; NORMAL MODES; PROTEIN DOCKING; PROTEIN FLEXIBILITY; SLOPPY MODES; STRUCTURAL REFINEMENT;

COMPUTATIONAL BIOLOGY; DATABASES, PROTEIN; ENERGY METABOLISM; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; SOFTWARE; STATIC ELECTRICITY;

EID: 84888297609     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.24404     Document Type: Article

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