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How Robust Are Protein Folding Simulations with Respect to Force Field Parameterization?

Molecular dynamics simulations hold the promise of providing an atomic-level description of protein folding that cannot easily be obtained from experiments. Here, we examine the extent to which the molecular mechanics force field used in such simulations might influence the observed folding pathways...

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Autors principals: Piana, Stefano, Lindorff-Larsen, Kresten, Shaw, David E.
Format: Artigo
Idioma:Inglês
Publicat: The Biophysical Society 2011
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3149239/
https://ncbi.nlm.nih.gov/pubmed/21539772
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2011.03.051
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