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Volumn 23, Issue 12, 2002, Pages 1127-1134

Efficiency of the multicanonical simulation method as applied to peptides of increasing size: The heptapeptide deltorphin

(5) Yaşar, Fatih a Arkin, Handan a Çelik, Tarik a Berg, Bernd A b Meirovitch, Hagai c,d

a HACETTEPE UNIVERSITY (Turkey)

b Florida State University ^* (United States)

c FLORIDA STATE UNIVERSITY (United States)

d UNIVERSITY OF PITTSBURGH SCHOOL OF MEDICINE (United States)

Author keywords

Deltorphin; Energy minimization; Metropolis Monte Carlo; Multicanonical simulation; Peptides; Proteins; Thermodynamic averages

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; FREE ENERGY; FUNCTIONS; MOLECULAR DYNAMICS; MOLECULES; MONTE CARLO METHODS; POTENTIAL ENERGY; SPECIFIC HEAT; STATISTICAL MECHANICS; VACUUM;

ENERGY BARRIERS; HEPTAPEPTIDE DELTORPHIN; MULTICANONICAL SIMULATION METHOD; PEPTIDES; POTENTIAL ENERGY FUNCTION;

POLYPEPTIDES;

DELTORPHIN; LEUCINE ENKEPHALIN; OLIGOPEPTIDE; PEPTIDE;

AMINO ACID SEQUENCE; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; MONTE CARLO METHOD; TEMPERATURE; TIME;

AMINO ACID SEQUENCE; COMPUTER SIMULATION; ENKEPHALIN, LEUCINE; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MONTE CARLO METHOD; OLIGOPEPTIDES; PEPTIDES; TEMPERATURE; TIME FACTORS;

EID: 0036707612 PISSN: 01928651 EISSN: None Source Type: Journal
DOI: 10.1002/jcc.10113 Document Type: Article

Times cited : (18)

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