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GridSolvate: A Web Server for the Prediction of Biomolecular Hydration Properties

[Image: see text] We present a novel web server, named gridSolvate, dedicated to the prediction of biomolecular hydration properties. Given a solute in atomic representation, such as a protein or protein–ligand complex, the server determines positions and excess chemical potential of buried and firs...

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Detalles Bibliográficos
Autor principal: Setny, Piotr
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7768606/
https://www.ncbi.nlm.nih.gov/pubmed/33119305
http://dx.doi.org/10.1021/acs.jcim.0c00779

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