Identifying the protein folding nucleus using molecular dynamics 1 1Edited by A. R. Fersht
作者： Nikolay V. Dokholyan , Sergey V. Buldyrev , H.Eugene Stanley , Eugene I. Shakhnovich
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摘要: Molecular dynamics simulations of folding in an off-lattice protein model reveal a nucleation scenario, which few well-defined contacts are formed with high probability the transition state ensemble conformations. Their appearance determines cooperativity and drives into its folded conformation. Amino acid residues participating those may serve as "accelerator pedals" used by molecular evolution to control rate.
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