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Advances in free-energy-based simulations of protein folding and ligand binding

Free-energy-based simulations are increasingly providing the narratives about the structures, dynamics and biological mechanisms that constitute the fabric of protein science. Here, we review two recent successes. It is becoming practical: (i) to fold small proteins with free-energy methods without...

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Detalhes bibliográficos
Publicado no:Curr Opin Struct Biol
Main Authors: Perez, Alberto, Morrone, Joseph A., Simmerling, Carlos, Dill, Ken A.
Formato: Artigo
Idioma:Inglês
Publicado em: 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4785060/
https://ncbi.nlm.nih.gov/pubmed/26773233
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.sbi.2015.12.002
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