Interplay among Structural Stability, Plasticity, and Energetics Determined by Conformational Attuning of Flexible Loops in PD-1. - Lovika Mittal; Mitul Srivastava; Anita Kumari; Rajiv K. Tonk; Amit Awasthi; Shailendra Asthana (J. Chem. Inf. Model., 2021)

Elucidation of Structural Determinants Delineates the Residues Playing Key Roles in Differential Dynamics and Selective Inhibition of Sirt1-3. - Mrityunjay Singh; Mitul Srivastava; Sharad R. Wakode; Shailendra Asthana (J. Chem. Inf. Model., 2021)

Rational Computational Workflow for Structure-Guided Discovery of a Novel USP7 Inhibitor. - Mitul Srivastava; Deepika Kumari; Sushanta Majumder; Nitu Singh; Rajani Mathur; Tushar Kanti Maiti; Ajay Kumar; Shailendra Asthana (J. Chem. Inf. Model., 2025)