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...

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Detalles Bibliográficos
Autores principales: Reis, Pedro B. P. S., Vila-Viçosa, Diogo, Campos, Sara R. R., Baptista, António M., Machuqueiro, Miguel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
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

Internet

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

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