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Toward amino acid typing for proteins in FFLUX
Continuing the development of the FFLUX, a multipolar polarizable force field driven by machine learning, we present a modern approach to atom‐typing and building transferable models for predicting atomic properties in proteins. Amino acid atomic charges in a peptide chain respond to the substitutio...
Gorde:
| Argitaratua izan da: | J Comput Chem |
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| Egile Nagusiak: | , |
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
John Wiley and Sons Inc.
2016
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| Gaiak: | |
| Sarrera elektronikoa: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6681421/ https://ncbi.nlm.nih.gov/pubmed/27991680 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.24686 |
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