Computer-aided de novo design and optimization of novel potential inhibitors of HIV-1 Nef protein. - Satyabrata Majumder; Giuseppe Deganutti; Ludovico Pipitò; Dwaipayan Chaudhuri; Joyeeta Datta; Kalyan Giri (Comput. Biol. Chem., 2023)

Computational Insights into the Conformational Dynamics of HIV-1 Vpr in a Lipid Bilayer for Ion Channel Modeling. - Satyabrata Majumder; Giuseppe Deganutti; Ludovico Pipitò; Dwaipayan Chaudhuri; Joyeeta Datta; Kalyan Giri (J. Chem. Inf. Model., 2024)

Exploring the Limits of Model Compression in LLMs: A Knowledge Distillation Study on QA Tasks. - Joyeeta Datta; Niclas Doll; Qusai Ramadan; Zeyd Boukhers (CoRR, 2025)