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Modern Alchemical Free Energy Methods for Drug Discovery Explained

[Image: see text] This Perspective provides a contextual explanation of the current state-of-the-art alchemical free energy methods and their role in drug discovery as well as highlights select emerging technologies. The narrative attempts to answer basic questions about what goes on “under the hood...

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Detalles Bibliográficos
Autor principal: York, Darrin M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10683484/
https://www.ncbi.nlm.nih.gov/pubmed/38034038
http://dx.doi.org/10.1021/acsphyschemau.3c00033