Unveiling structural determinants for FXR antagonism in 1,3,4-trisubstituted-Pyrazol amide derivatives: A multi-scale in silico modelling approach. - Soumya Mitra; Amit Kumar Halder; Arup Koley; Nilanjan Ghosh; Parthasarathi Panda; Subhash C. Mandal; M. Natália Dias Soeiro Cordeiro (Comput. Biol. Medicine, 2024)