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Investigation of protein folding by coarse-grained molecular dynamics with the UNRES force field

Coarse-grained molecular-dynamics simulations offer a dramatic extension of the time-scale of simulations compared to all-atom approaches. In this article, we describe the use of the physics-based united-residue (UNRES) force field, developed in our laboratory, in protein-structure simulations. We d...

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Autori principali: Maisuradze, Gia G., Senet, Patrick, Czaplewski, Cezary, Liwo, Adam, Scheraga, Harold A.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2010
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC2849147/
https://ncbi.nlm.nih.gov/pubmed/20166738
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp9117776
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