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Structural Refinement of Proteins by Restrained Molecular Dynamics Simulations with Non-interacting Molecular Fragments

The knowledge of multiple conformational states is a prerequisite to understand the function of membrane transport proteins. Unfortunately, the determination of detailed atomic structures for all these functionally important conformational states with conventional high-resolution approaches is often...

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Pubblicato in:PLoS Comput Biol
Autori principali: Shen, Rong, Han, Wei, Fiorin, Giacomo, Islam, Shahidul M., Schulten, Klaus, Roux, Benoît
Natura: Artigo
Lingua:Inglês
Pubblicazione: Public Library of Science 2015
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC4624691/
https://ncbi.nlm.nih.gov/pubmed/26505197
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1004368
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