Generation of accurate protein loop conformations through low-barrier molecular dynamics

Proteins: Structure, Function and Genetics

Volumn 51, Issue 4, 2003, Pages 577-590

  Hornak, Viktor ^a   Simmerling, Carlos ^a  

^a STONY BROOK UNIVERSITY   (United States)

Author keywords

Antibody loops; Conformational sampling; Homology modeling; Locally enhanced sampling (LES); Loop prediction; Molecular dynamics; Soft core potential

Indexed keywords

CARBON; CARBONYL DERIVATIVE; HYDROGEN; HYDROXYL GROUP; IMMUNOGLOBULIN F(AB) FRAGMENT; PROTEIN;

ARTICLE; COMPUTER SIMULATION; ENERGY; MODEL; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN STRUCTURE; SAMPLING; STATISTICAL ANALYSIS;

ALGORITHMS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEINS; THERMODYNAMICS;

EID: 0037941126     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.10363     Document Type: Article

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