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Recalibrating the calcium trap in amino acid carboxyl groups via classical molecular dynamics simulations
In order to use classical molecular dynamics to complement experiments accurately, it is important to use robust descriptions of the system. The interactions between biomolecules, like aspartic and glutamic acid, and dissolved ions are often studied using standard biomolecular force-fields, where th...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9811642/ https://www.ncbi.nlm.nih.gov/pubmed/36524712 http://dx.doi.org/10.1039/d2cp02879d |