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Towards the prediction of order parameters from molecular dynamics simulations in proteins

A molecular understanding of how protein function is related to protein structure requires an ability to understand large conformational changes between multiple states. Unfortunately these states are often separated by high free energy barriers and within a complex energy landscape. This makes it v...

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Detalhes bibliográficos
Main Authors: Perilla, Juan R., Woolf, Thomas B.
Formato: Artigo
Idioma:Inglês
Publicado em: American Institute of Physics 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3350535/
https://ncbi.nlm.nih.gov/pubmed/22559464
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3702447
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