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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,...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| 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 |