Decoding Supramolecular Packing Patterns from Computed Anisotropic Deformability Maps of Molecular Crystals

[Image: see text] The ability to encode and embed desired mechanical properties into active pharmaceutical ingredient solid forms would significantly advance drug development. In recent years, computational methods, particularly dispersion-corrected density functional theory (DFT), have come of age,...

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Detalles Bibliográficos
Autores principales: Zwane, Reabetswe R., Klug, Joaquin, Guerin, Sarah, Thompson, Damien, Reilly, Anthony M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10041627/
https://www.ncbi.nlm.nih.gov/pubmed/36998252
http://dx.doi.org/10.1021/acs.jpcc.2c08212

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10041627/
https://www.ncbi.nlm.nih.gov/pubmed/36998252
http://dx.doi.org/10.1021/acs.jpcc.2c08212

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