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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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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2008
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| Assuntos: | |
| Acesso em linha: | 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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