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Bridging the 12-6-4 Model and the Fluctuating Charge Model
Metal ions play important roles in various biological systems. Molecular dynamics (MD) using classical force field has become a popular research tool to study biological systems at the atomic level. However, meaningful MD simulations require reliable models and parameters. Previously we showed that...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Frontiers Media S.A.
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8339297/ https://www.ncbi.nlm.nih.gov/pubmed/34368089 http://dx.doi.org/10.3389/fchem.2021.721960 |