Structural and Energetic Aspects of Entacapone-Theophylline-Water Cocrystal

Structural and Energetic Aspects of Entacapone-Theophylline-Water Cocrystal

Pharmaceutical cocrystals are currently gaining interest among the scientific community, due to their great potential for providing novel crystalline forms with superior properties such as solubility, dissolution rate, bioavailability, and stability. Robust computational tools are valuable tools in...

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Bibliographic Details
Main Authors: Anna Karagianni, Julian Quodbach, Oliver Weingart, Anastasia Tsiaxerli, Vasiliki Katsanou, Vera Vasylyeva, Christoph Janiak, Kyriakos Kachrimanis
Format: Article
Language:English
Published: MDPI AG 2022-02-01
Series:Solids
Subjects:
cocrystals
intermolecular interactions
cocrystal screening
solid-state modelling
density functional theory
dehydration kinetics
Online Access:https://www.mdpi.com/2673-6497/3/1/6

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https://www.mdpi.com/2673-6497/3/1/6

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