Thermodynamics and Kinetics of Folding of a Small Peptide

Details Thermodynamics and Kinetics of Folding of a Small Peptide Thermodynamics and Kinetics of Folding of a Small Peptide

2001-08-24

arxiv.org/abs/cond-mat/0108401v1

J. Chem. Phys. 115 (2001) 1601

Physics

Condensed Matter

Scientific paper

10.1063/1.1379757

We study the thermodynamics and kinetics of folding for a small peptide. Our data rely on Monte Carlo simulations where the interactions among all atoms are taken into account. Monte Carlo kinetics is used to study folding of the peptide at suitable temperatures. The results of these canonical simulations are compared with that of a generalized-ensemble simulation. Our work demonstrates that concepts of folding which were developed in the past for minimalist models hold also for this peptide when simulated with an all-atom force field.

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