Experimental verification of force fields for molecular dynamics simulations using Gly-Pro-Gly-Gly

Journal of Physical Chemistry B

Volumn 114, Issue 38, 2010, Pages 12358-12375

  Aliev, Abil E ^a   Courtier Murias, Denis ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; MOLECULAR DYNAMICS; PEPTIDES; POPULATION STATISTICS; SURVEYS;

B3LYP FUNCTIONALS; CONFORMATIONAL POPULATION; DIFFERENT SOLVENTS; EXPERIMENTAL VERIFICATION; FORCE FIELDS; HELICAL PEPTIDE; INTERNUCLEAR DISTANCES; J COUPLING; MD SIMULATION; MEASURED PARAMETERS; MOLECULAR DYNAMICS SIMULATIONS; OPEN CHAIN; PEPTIDE BACKBONES; POLYPROLINE II; POOR PERFORMANCE; PROTEIN DATA BANK; SECONDARY STRUCTURES; SELF-DIFFUSION COEFFICIENTS; SIDE CHAINS; SOLUTION NMR; STRUCTURE AND DYNAMICS; SURVEY DATA; TETRAPEPTIDE; TIME-SCALES; WATER MODELS;

CONFORMATIONS;

EID: 77957145280     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp101581h     Document Type: Article

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