ICM-DISCO docking by global energy optimization with fully flexible side-chains

Proteins: Structure, Function and Genetics

Volumn 52, Issue 1, 2003, Pages 113-117

  Fernández Recio, Juan ^a   Totrov, Maxim ^b   Abagyan, Ruben ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

^b MOLSOFT LLC   (United States)

Author keywords

Biased probability stochastic global optimization; Internal coordinate mechanics; Protein protein docking; Pseudo Brownian rigid body Monte Carlo; Soft grid potentials

Indexed keywords

DOCKING PROTEIN; LIGAND; SOLVENT;

ALGORITHM; ARTICLE; ATOM; COMPUTER PREDICTION; ELECTRIC POTENTIAL; ENERGY; GLOBAL ENERGY OPTIMIZATION; MODEL; MOLECULAR MECHANICS; MONTE CARLO METHOD; PRIORITY JOURNAL; PROBABILITY; PROCESS OPTIMIZATION; PROTEIN CONFORMATION; PROTEIN PROTEIN INTERACTION; PROTEIN STRUCTURE; REACTION ANALYSIS; SOFT GRID POTENTIAL; STATISTICS; TECHNIQUE;

ALGORITHMS; ALPHA-AMYLASE; AMINO ACIDS; ANTIBODIES; ANTIGENS, VIRAL; BACTERIAL PROTEINS; BINDING SITES; CAPSID PROTEINS; EXOTOXINS; HEMAGGLUTININ GLYCOPROTEINS, INFLUENZA VIRUS; MACROMOLECULAR SUBSTANCES; MEMBRANE PROTEINS; MODELS, MOLECULAR; MONTE CARLO METHOD; PHOSPHOENOLPYRUVATE SUGAR PHOSPHOTRANSFERASE SYSTEM; PROTEIN INTERACTION MAPPING; PROTEIN-SERINE-THREONINE KINASES; PROTEINS; RECEPTORS, ANTIGEN, T-CELL, ALPHA-BETA;

EID: 17344380633     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.10383     Document Type: Article

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