On foldable protein-like models; a statistical-mechanical study with Monte Carlo simulations

Ming-Hong Hao and Harold A. Scheraga

Physica A: Statistical Mechanics and its Applications, 1997, vol. 244, issue 1, 124-146

Abstract: This is study of a class of lattice polymer models which have a singular lowest-energy conformation and undergo a phase transition from the statistically random state to the unique ground state. Such foldable lattice polymers can be considered as a crude model for protein molecules. The procedure for constructing a foldable polymer model, including selection of the monomer sequence and optimization of the force field, is described. A solvation term for individual monomers was added to the pairwise contact-based potential commonly used for the lattice polymer model. It is shown that the solvation interactions of individual residues make an important contribution to the folding of protein-like models. The statistical-mechanical characteristics of the models were analyzed with the help of Monte Carlo simulations. The model provides many insights to the protein-folding problem.

Keywords: Lattice polymer models; Two-state transition in finite systems; Monomer sequences; Force field; Protein folding (search for similar items in EconPapers)
Date: 1997
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Citations: View citations in EconPapers (1)

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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:244:y:1997:i:1:p:124-146

DOI: 10.1016/S0378-4371(97)00222-7

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