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Computing the stability diagram of the Trp-cage miniprotein

We report molecular dynamics simulations of the equilibrium folding/unfolding thermodynamics of an all-atom model of the Trp-cage miniprotein in explicit solvent. Simulations are used to sample the folding/unfolding free energy difference and its derivatives along 2 isochores. We model the ΔG(u)(P,T...

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Bibliographic Details
Main Authors: Paschek, Dietmar, Hempel, Sascha, García, Angel E.
Format: Artigo
Language:Inglês
Published: National Academy of Sciences 2008
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Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC2582582/
https://ncbi.nlm.nih.gov/pubmed/19004791
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0804775105
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