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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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| Veröffentlicht in: | J Phys Chem B |
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| Hauptverfasser: | , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2018
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| Schlagworte: | |
| Online Zugang: | 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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