Cooperativity and Stability in a Langevin Model of Protein Folding

Physics – Condensed Matter – Statistical Mechanics

Scientific paper

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45 pages, 16 figures, 2 tables. LaTeX. Submitted to the Journal of Chemical Physics

Scientific paper

10.1063/1.474039

We present two simplified models of protein dynamics based on Langevin's equation of motion in a viscous medium. We explore the effect of the potential energy function's symmetry on the kinetics and thermodynamics of simulated folding. We find that an isotropic potential energy function produces, at best, a modest degree of cooperativity. In contrast, a suitable anisotropic potential energy function delivers strong cooperativity.

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