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A Comparison of Bonded and Nonbonded Zinc(II) Force Fields with NMR Data
Classical molecular dynamics (MD) simulations are widely used to inspect the behavior of zinc(II)-proteins at the atomic level, hence the need to properly model the zinc(II) ion and the interaction with its ligands. Different approaches have been developed to represent zinc(II) sites, with the bonde...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10055966/ https://www.ncbi.nlm.nih.gov/pubmed/36982515 http://dx.doi.org/10.3390/ijms24065440 |