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Diffusive Dynamics of the Reaction Coordinate for Protein Folding Funnels

N. D. Socci·J. N. Onuchic·P. G. Wolynes
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Abstract

The quantitative description of model protein folding kinetics using a diffusive collective reaction coordinate is examined. Direct folding kinetics, diffusional coefficients and free energy profiles are determined from Monte Carlo simulations of a 27-mer, 3 letter code lattice model, which corresponds roughly to a small helical protein. Analytic folding calculations, using simple diffusive rate theory, agree extremely well with the full simulation results. Folding in this system is best seen as a diffusive, funnel-like process.

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N. D. Socci, J. N. Onuchic, P. G. Wolynes. 1996-01-21. Diffusive Dynamics of the Reaction Coordinate for Protein Folding Funnels. https://doi.org/10.1063/1.471317

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