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Solvation thermodynamics from cavity shapes of amino acids

According to common physical chemistry wisdom, the solvent cavities hosting a solute are tightly sewn around it, practically coinciding with its van der Waals surface. Solvation entropy is primarily determined by the surface and the volume of the cavity while enthalpy is determined by the solute–sol...

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Detalles Bibliográficos
Autores principales: Azizi, Khatereh, Laio, Alessandro, Hassanali, Ali
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10400782/
https://www.ncbi.nlm.nih.gov/pubmed/37545648
http://dx.doi.org/10.1093/pnasnexus/pgad239