Energy partitioning of pharmaceutical co-crystal structures
نویسندگان
چکیده
Energy partitioning of pharmaceutical cocrystals by molecule-pair interaction and ONIOM energies identifies the driving force their formation, leading to in silico conformational sampling for predicting API-cocrystal combinations experiment.
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ژورنال
عنوان ژورنال: CrystEngComm
سال: 2023
ISSN: ['1466-8033']
DOI: https://doi.org/10.1039/d2ce00148a