Crustwater: Modeling Hydrophobic Solvation

[Image: see text] We describe Crustwater, a statistical mechanical model of nonpolar solvation in water. It treats bulk water using the Cage Water model and introduces a crust, i.e., a solvation shell of coordinated partially structured waters. Crustwater is analytical and fast to compute. We comput...

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Detalles Bibliográficos
Autores principales: Yadav, Ajeet Kumar, Bandyopadhyay, Pradipta, Coutsias, Evangelos A., Dill, Ken A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9393863/
https://www.ncbi.nlm.nih.gov/pubmed/35926838
http://dx.doi.org/10.1021/acs.jpcb.2c02695

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9393863/
https://www.ncbi.nlm.nih.gov/pubmed/35926838
http://dx.doi.org/10.1021/acs.jpcb.2c02695

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