CSAW: a dynamical model of protein folding

Details CSAW: a dynamical model of protein folding CSAW: a dynamical model of protein folding

2006-01-12

arxiv.org/abs/cond-mat/0601244v1

Physics

Condensed Matter

Statistical Mechanics

16 figures

Scientific paper

CSAW (conditioned self-avoiding walk) is a model of protein folding that combines SAW (self-avoiding walk) with Monte-Carlo. It simulates the Brownian motion of a chain molecule in the presence of interactions, both among chain residues, and with the environment. In a first model that includes the hydrophobic effect and hydrogen bonding, a chain of 30 residues folds into a native state with stable secondary and tertiary structures. The process starts with a rapid collapse into an intermediate "molten globule", which slowly decays into the native state afer a relatively long quiescent period. The behavior of the radius of gyration mimics experimental data.

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