Binding mode prediction for a flexible ligand in a flexible pocket using multi-conformation simulated annealing pseudo crystallographic refinement

Journal of Molecular Biology

Volumn 314, Issue 3, 2001, Pages 607-617

  Ota, Nobuyuki ^a   Agard, David A ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Binding; Molecular dynamics; Multi conformation; Refinement; Simulated annealing

Indexed keywords

LIGAND; WATER;

ACCURACY; ARTICLE; CORRELATION FUNCTION; CRYSTAL STRUCTURE; ENERGY TRANSFER; LIGAND BINDING; MAJOR HISTOCOMPATIBILITY COMPLEX; METHODOLOGY; POLYMERASE CHAIN REACTION; PREDICTION; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN STRUCTURE; SIMULATION; X RAY CRYSTALLOGRAPHY;

EID: 0035976749     PISSN: 00222836     EISSN: None     Source Type: Journal    
DOI: 10.1006/jmbi.2001.5147     Document Type: Article

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