Application of torsion angle molecular dynamics for efficient sampling of protein conformations

Journal of Computational Chemistry

Volumn 26, Issue 15, 2005, Pages 1565-1578

  Chen, Jianhan ^a   Im, Wonpil ^a   Brooks III, Charles L ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

Author keywords

Force field; Generalized Born; Implicit solvent; Internal coordinate; NMR refinement; Replica exchange; Structure prediction

Indexed keywords

FORCE FIELDS; GENERALIZED BORN; IMPLICIT SOLVENTS; INTERNAL COORDINATES; NMR REFINEMENT; REPLICA EXCHANGE; STRUCTURE PREDICTION;

CHEMICAL BONDS; COMPUTER SIMULATION; CONFORMATIONS; DEGREES OF FREEDOM (MECHANICS); MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE;

PROTEINS;

PEPTIDE; PROTEIN;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE; PROTEIN CONFORMATION; PROTEIN FOLDING; TIME;

COMPUTER SIMULATION; MODELS, CHEMICAL; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PEPTIDES; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEINS; TIME FACTORS;

EID: 27844498431     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20293     Document Type: Article

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