Unveiling structural determinants for FXR antagonism in 1,3,4-trisubstituted-Pyrazol amide derivatives: A multi-scale in silico modelling approach

Autor: Mitra, Soumya, Halder, Amit Kumar, Koley, Arup, Ghosh, Nilanjan, Panda, Parthasarathi, Mandal, Subhash C., Cordeiro, Maria Natalia D.S.
Zdroj: In Computers in Biology and Medicine September 2024 180
Databáze: ScienceDirect