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Development and Testing of Force Field Parameters for Phenylalanine and Tyrosine Derivatives
Theoretical analyses are valuable for the exploration of the effects of unnatural amino acids on enzyme functions; however, many necessary parameters for unnatural amino acids remain lacking. In this study, we developed and tested force field parameters compatible with Amber ff14SB for 18 phenylalan...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7770134/ https://www.ncbi.nlm.nih.gov/pubmed/33385013 http://dx.doi.org/10.3389/fmolb.2020.608931 |