Identifying the protein folding nucleus using molecular dynamics

Preprint

17 December 1998

preprint
Published by arXiv in arXiv

https://doi.org/10.48550/arXiv.cond-mat/9812284

Abstract

Molecular dynamics simulations of folding in an off-lattice protein model reveal a nucleation scenario, in which a few well-defined contacts are formed with high probability in the transition state ensemble of conformations. Their appearance determines folding cooperativity and drives the model protein into its folded conformation.

Keywords

MOLECULAR DYNAMICS SIMULATIONS
PROBABILITY IN THE TRANSITION
DYNAMICS MOLECULAR
TRANSITION STATE
PROTEIN FOLDING
FOLDING NUCLEUS
COOPERATIVITY
NUCLEUS USING
NUCLEATION

All Related Versions

Version 1, 1998-12-16, ArXiv
Version 2, 1998-12-17, ArXiv

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