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Effective potentials for folding proteins.

Nan-Yow Chen·Zheng-Yao Su·Chung-Yu Mou
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Abstract

A coarse-grained off-lattice model that is not biased in any way to the native state is proposed to fold proteins. To predict the native structure in a reasonable time, the model has included the essential effects of water in an effective potential. Two new ingredients, the dipole-dipole interaction and the local hydrophobic interaction, are introduced and are shown to be as crucial as the hydrogen bonding. The model allows successful folding of the wild-type sequence of protein G and may have provided important hints to the study of protein folding.

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Hydrogen BondingHydrophobic and Hydrophilic InteractionsKineticsMathematicsNerve Tissue ProteinsProtein ConformationProtein DenaturationProtein FoldingProtein Structure, SecondaryThermodynamicsWaterJournal ArticleResearch Support, Non-U.S. Gov't

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Nan-Yow Chen, Zheng-Yao Su, Chung-Yu Mou. 2006-02-22. Effective potentials for folding proteins.. https://doi.org/10.1103/physrevlett.96.078103

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