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Publications
] , “Repurposing of FDA-approved drugs against active site and potential allosteric drug-binding sites of COVID-19 main protease”, Proteins: Structure, Function, and Bioinformatics, vol. 89, pp. 1425-1441, 2021.
, “Molecular Mechanism of Protein Arginine Deiminase 2: A Study Involving Multiple Microsecond Long Molecular Dynamics Simulations”, Biochemistry, vol. 61, pp. 1286-1297, 2022.
, “Mechanistic insights into the challenges of organocatalytic Beckmann rearrangement reactions”, Org. Biomol. Chem., vol. 21, pp. 1254-1263, 2023.
, “Innovative Use of an Injectable, Self-Healing Drug-Loaded Pectin-Based Hydrogel for Micro- and Supermicro-Vascular Anastomoses”, Biomacromolecules, vol. 25, pp. 3959-3975, 2024.
, “In Silico Identification of Putative Allosteric Pockets and Inhibitors for the KRASG13D-SOS1 Complex in Cancer Therapy”, International Journal of Molecular Sciences, vol. 26, p. 3293, 2025.