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ff14SB: Improving the accuracy of protein side chain and backbone parameters from ff99SB
Molecular mechanics is powerful for its speed in atomistic simulations, but an accurate force field is required. The Amber ff99SB force field improved protein secondary structure balance and dynamics from earlier force fields like ff99, but weaknesses in side chain rotamer and backbone secondary str...
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| Veröffentlicht in: | J Chem Theory Comput |
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| Hauptverfasser: | , , , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2015
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4821407/ https://ncbi.nlm.nih.gov/pubmed/26574453 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.5b00255 |
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