Anisotropic Electrostatic Interactions in Coarse-Grained Water Models to Enhance the Accuracy and Speed-Up Factor of Mesoscopic Simulations

[Image: see text] Water models with realistic physical–chemical properties are essential to study a variety of biomedical processes or engineering technologies involving molecules or nanomaterials. Atomistic models of water are constrained by the feasible computational capacity, but calibrated coars...

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Detalles Bibliográficos
Autores principales: Bellussi, Francesco Maria, Roscioni, Otello Maria, Ricci, Matteo, Fasano, Matteo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8573754/
https://www.ncbi.nlm.nih.gov/pubmed/34704761
http://dx.doi.org/10.1021/acs.jpcb.1c07642

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8573754/
https://www.ncbi.nlm.nih.gov/pubmed/34704761
http://dx.doi.org/10.1021/acs.jpcb.1c07642

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