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Extending the Nonbonded Cationic Dummy Model to Account for Ion-Induced Dipole Interactions
[Image: see text] Modeling metalloproteins often requires classical molecular dynamics (MD) simulations in order to capture their relevant motions, which in turn necessitates reliable descriptions of the metal centers involved. One of the most successful approaches to date is provided by the “cation...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5672556/ https://www.ncbi.nlm.nih.gov/pubmed/29022713 http://dx.doi.org/10.1021/acs.jpclett.7b02358 |