Computational approach to elucidate the formation and stabilization mechanism of amorphous formulation using molecular dynamics simulation and fragment molecular orbital calculation
Xiaohan Ma, Kenjirou Higashi, Kaori Fukuzawa, Keisuke Ueda, Kazunori Kadota, Yuichi Tozuka, Etsuo Yonemochi, Kunikazu Moribe
Topics & Concepts
RutinMolecular dynamicsChemistryHydrogen bondAmorphous solidComputational chemistryMoleculeStereochemistryOrganic chemistryAntioxidantMicroencapsulation and Drying ProcessesMaterial Dynamics and PropertiesPharmacological Effects of Natural Compounds