Pharmacoinformatics study of Piperolactam A from Piper betle root as new lead for non steroidal anti fertility drug development. - Sk. Abdul Amin; Plaban Bhattacharya; Souvik Basak; Shovanlal Gayen; Ashis Nandy; Achintya Saha (Comput. Biol. Chem., 2017)

In silico modelling of azole derivatives with tyrosinase inhibition ability: Application of the models for activity prediction of new compounds. - Biplab De; Indrani Adhikari; Ashis Nandy; Achintya Saha; Binoy Behari Goswami (Comput. Biol. Chem., 2018)

Mechanistic insights into PROTAC-mediated degradation through an integrated framework of molecular dynamics, free energy landscapes, and quantum mechanics: A case study on kinase degraders. - Ashis Nandy; Kiran Boppana; Samiron Phukan (J. Comput. Aided Mol. Des., 2025)