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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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Bibliografiske detaljer
Main Authors: Piana, Stefano, Lindorff-Larsen, Kresten, Shaw, David E.
Format: Artigo
Sprog:Inglês
Udgivet: The Biophysical Society 2011
Fag:
Online adgang: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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