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On the ability of molecular dynamics force fields to recapitulate NMR derived protein side chain order parameters
Molecular dynamics (MD) simulations have become a central tool for investigating various biophysical questions with atomistic detail. While many different proxies are used to qualify MD force fields, most are based on largely structural parameters such as the root mean square deviation from experime...
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| Veröffentlicht in: | Protein Sci |
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| Hauptverfasser: | , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
John Wiley and Sons Inc.
2016
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4941777/ https://ncbi.nlm.nih.gov/pubmed/26990788 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/pro.2922 |
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