Helix-coil transition of alanine peptides in water: Force field dependence on the folded and unfolded structures

Proteins: Structure, Function and Genetics

Volumn 59, Issue 4, 2005, Pages 773-782

  Gnanakaran, S ^a   García, Angel E ^a,b  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b Research Rensselaer Polytechnic Institute   (United States)

Author keywords

AMBER; Explicit solvent; Folding; Free energy; Lifson Roig; OPLS; Poly proline like (PPII); Replica exchange molecular dynamics; Trialanine; Zimm Bragg

Indexed keywords

ALANINE; PEPTIDE DERIVATIVE; WATER;

ARTICLE; CALCULATION; ENERGY; MEASUREMENT; METHODOLOGY; MOLECULAR DYNAMICS; PARAMETER; PRIORITY JOURNAL; PROTEIN FOLDING; PROTEIN STRUCTURE; SIMULATION; STRUCTURE ANALYSIS; THERMODYNAMICS; VALIDATION PROCESS;

ALANINE; COMPUTER SIMULATION; DIPEPTIDES; KINETICS; OLIGOPEPTIDES; PEPTIDES; PROTEIN CONFORMATION; PROTEIN DENATURATION; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; THERMODYNAMICS;

EID: 18844361915     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.20439     Document Type: Article

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