Modeling two-state cooperativity in protein folding

Details Modeling two-state cooperativity in protein folding Modeling two-state cooperativity in protein folding

2001-03-19

arxiv.org/abs/cond-mat/0103385v1

Phys. Rev. E, 64 (2001) 041907

Physics

Condensed Matter

Soft Condensed Matter

5 figures

Scientific paper

10.1103/PhysRevE.64.041907

A protein model with the pairwise interaction energies varying as local environment changes, i.e., including some kinds of collective effect between the contacts, is proposed. Lattice Monte Carlo simulations on the thermodynamical characteristics and free energy profile show a well-defined two-state behavior and cooperativity of folding for such a model. As a comparison, related simulations for the usual G\={o} model, where the interaction energies are independent of the local conformations, are also made. Our results indicate that the evolution of interactions during the folding process plays an important role in the two-state cooperativity in protein folding.

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