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Role of Counterions in Constant-pH Molecular Dynamics Simulations of PAMAM Dendrimers
[Image: see text] Electrostatic interactions play a pivotal role in the structure and mechanism of action of most biomolecules. There are several conceptually different methods to deal with electrostatics in molecular dynamics simulations. Ionic strength effects are usually introduced using such met...
| 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/PMC6045380/ https://www.ncbi.nlm.nih.gov/pubmed/30023821 http://dx.doi.org/10.1021/acsomega.7b01708 |