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Comparison of Charge Derivation Methods Applied to Amino Acid Parameterization
[Image: see text] When using non-natural amino acids in computational simulations of proteins, it is necessary to ensure appropriate parameterization of the new amino acids toward the creation of appropriate input files. In particular, the charges on the atoms may have to be derived de novo and ad h...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641686/ https://www.ncbi.nlm.nih.gov/pubmed/31458687 http://dx.doi.org/10.1021/acsomega.8b00438 |