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Validating Molecular Dynamics Simulations Against Experimental Observables in Light of Underlying Conformational Ensembles

Far from the static, idealized conformations deposited into structural databases, proteins are highly dynamic molecules that undergo conformational changes on temporal and spatial scales that may span several orders of magnitude. These conformational changes, often intimately connected to the functi...

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Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:J Phys Chem B
Egile Nagusiak: Childers, Matthew Carter, Daggett, Valerie
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: 2018
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC6420231/
https://ncbi.nlm.nih.gov/pubmed/29864281
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.8b02144
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