1. Mathath, A. V.; Chakraborty, D. Effect of Neutral Crowders on Alpha-Synuclein Aggregation Kinetics Using Scaled SOP-IDP Model. Chem. Phys. Impact. 2026, 13, 101176.
2. Mathath, A. V.; Chakraborty, D. A new reaction coordinate to study the translocation pathway of cell-penetrating peptides across lipid bilayers: The cases of transportan-10 and penetratin. J. Chem. Phys. 2025, 163, 244104.
3. Mathath, A. V.; Chakraborty, D. Effect of peptide hydrophilicity on membrane curvature and permeation. J. Chem. Phys. 2024, 161, 164105.
4. Mathath, A. V.; Das, B. K.; Chakraborty, D. Designing reaction coordinate for ion-induced pore-assisted mechanism of halide ions permeation through lipid bilayer by umbrella sampling. J. Chem. Inf. Model. 2023, 63 (24), 7778–7790.
5. Das, B. K.; Singh, O.; Chakraborty, D. Exploring the Barriers in the Aggregation of a Hexa-decameric Human Prion Peptide through the Markov State Model. ACS Chem. Neurosci. 2023, 14 (19), 3622–3645.
6. Das, B. K.; Chakraborty, D. Epitope-Based Potential Vaccine Candidate for Humoral and Cell-Mediated Immunity to Combat Severe Acute Respiratory Syndrome Coronavirus 2 Pandemic. J. Phys. Chem. Lett. 2020, 11, 9920.