Free energy based populations of interconverting microstates of a cyclic peptide lead to the experimental NMR data

Biopolymers

Volumn 50, Issue 3, 1999, Pages 329-344

  Baysal, Canan ^a   Meirovitch, Hagai ^a  

^a FLORIDA STATE UNIVERSITY   (United States)

Author keywords

Atomic solvation parameters; Cyclic peptide; Free energy based populations; Interconverting microstates; Molecular dynamics; Monte Carlo; nmr; Nuclear Overhauser enhancement; Statistical mechanics

Indexed keywords

COMPUTER SIMULATION; ENTROPY; FREE ENERGY; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORGANIC SOLVENTS; POLYPEPTIDES; POTENTIAL ENERGY; STATISTICAL MECHANICS;

CYCLIC PEPTIDES; INTERCONVERTING MICROSTATES; NUCLEAR OVERHAUSER ENHANCEMENT;

BIOPOLYMERS;

CYCLOPEPTIDE;

ARTICLE; ENERGY; ENTROPY; MOLECULAR DYNAMICS; MOLECULAR MODEL; NUCLEAR OVERHAUSER EFFECT; PROTEIN CONFORMATION; STRUCTURE ANALYSIS;

ALGORITHMS; DIMETHYL SULFOXIDE; MAGNETIC RESONANCE SPECTROSCOPY; MONTE CARLO METHOD; PEPTIDES, CYCLIC; PROTEIN CONFORMATION; THERMODYNAMICS;

EID: 0033198024     PISSN: 00063525     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0282(199909)50:3<329::AID-BIP8>3.0.CO;2-4     Document Type: Article

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