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The temperature-dependence of host–guest binding thermodynamics: experimental and simulation studies

The thermodynamic parameters of host–guest binding can be used to describe, understand, and predict molecular recognition events in aqueous systems. However, interpreting binding thermodynamics remains challenging, even for these relatively simple molecules, as they are determined by both direct and...

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Detalles Bibliográficos
Autores principales: Grimm, Laura M., Setiadi, Jeffry, Tkachenko, Boryslav, Schreiner, Peter R., Gilson, Michael K., Biedermann, Frank
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10619620/
https://www.ncbi.nlm.nih.gov/pubmed/37920355
http://dx.doi.org/10.1039/d3sc01975f