Convergence in peptide folding simulation: Multiple trajectories of a potential AIDS pharmacophore

Biopolymers

Volumn 70, Issue 2, 2003, Pages 121-133

  Mihailescu, Dan ^a,b   Reed, Jennifer ^b   Smith, Jeremy C ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

^b GERMAN CANCER RESEARCH CENTER DKFZ   (Germany)

Author keywords

Convergence; Molecular dynamics simulation; Peptide

Indexed keywords

COMPUTER SIMULATION; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; ORGANIC SOLVENTS; SOLUTIONS;

TRAJECTORY FRAMES;

BIOPOLYMERS;

HUMAN IMMUNODEFICIENCY VIRUS VACCINE; ORGANIC SOLVENT; PEPTIDE; WATER;

ACQUIRED IMMUNE DEFICIENCY SYNDROME; AQUEOUS SOLUTION; ARTICLE; MOLECULAR DYNAMICS; PHARMACOPHORE; PHYSICAL PARAMETERS; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTON NUCLEAR MAGNETIC RESONANCE;

AIDS VACCINES; CLUSTER ANALYSIS; COMPUTER SIMULATION; DRUG DESIGN; MAGNETIC RESONANCE SPECTROSCOPY; PEPTIDES; PROTEIN CONFORMATION; PROTEIN FOLDING; SOFTWARE; TIME FACTORS;

EID: 0141995485     PISSN: 00063525     EISSN: None     Source Type: Journal    
DOI: 10.1002/bip.10401     Document Type: Article

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