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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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Bibliografski detalji
Izdano u:J Chem Theory Comput
Glavni autori: Maier, James A., Martinez, Carmenza, Kasavajhala, Koushik, Wickstrom, Lauren, Hauser, Kevin E., Simmerling, Carlos
Format: Artigo
Jezik:Inglês
Izdano: 2015
Teme:
Online pristup: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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