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Additive CHARMM36 Force Field for Nonstandard Amino Acids

Nonstandard amino acids are both abundant in nature, where they play a key role in various cellular processes, and can be synthesized in laboratories, for example, for the manufacture of a range of pharmaceutical agents. In this work we have extended the additive all-atom CHARMM36 and CHARMM General...

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Bibliografiske detaljer
Udgivet i:J Chem Theory Comput
Main Authors: Croitoru, Anastasia, Park, Sang-Jun, Kumar, Anmol, Lee, Jumin, Im, Wonpil, MacKerell, Alexander D., Aleksandrov, Alexey
Format: Artigo
Sprog:Inglês
Udgivet: 2021
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC8207570/
https://ncbi.nlm.nih.gov/pubmed/34009984
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.1c00254
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