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Minimal model for studying prion-like folding pathways.

Jeff Z Y Chen·Alexander S Lemak·James R Lepock·Josh P Kemp
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Abstract

The Monte Carlo technique is used to simulate the energy landscape and the folding kinetics of a minimal prion-like protein model. We show that the competition between hydrogen-bonding and hydrophobic interactions yields two energetically favored secondary structures, an alpha-helix and a beta-hairpin. Folding simulations indicate that the probability of reaching the alpha-helix form from a denatured random conformation is much higher than the probability of reaching the beta-sheet form, even though the beta-sheet has a lower energy. The existence of a lower energy beta-sheet state gives the possibility for the normal alpha-helix structure to take a structural transformation into the beta-sheet structure under external influences.

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Hydrogen BondingKineticsModels, ChemicalMonte Carlo MethodPrionsProtein ConformationProtein FoldingProtein Structure, SecondaryThermodynamicsJournal ArticleResearch Support, Non-U.S. Gov'tResearch Support, U.S. Gov't, P.H.S.

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Jeff Z Y Chen, Alexander S Lemak, James R Lepock, Josh P Kemp. 2003-05-01. Minimal model for studying prion-like folding pathways.. https://doi.org/10.1002/prot.10329

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