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Publications
] , “Monte Carlo and Molecular Dynamics Simulations suggest controlled release of corticosteroids from mesoporous host MIL-101 (Cr)”, Molecular Simulation, vol. 47, pp. 1530–1539, 2021.
, “A computational workflow to determine drug candidates alternative to aminoglycosides targeting the decoding center of E. coli ribosome”, Journal of Molecular Graphics and Modelling, vol. 131, p. 108817, 2024.
, “Computational insights into substrate-assisted citrullination mechanisms of PAD2 isozyme: A comparative analysis of reaction pathways”, Journal of Molecular Graphics and Modelling, vol. 140, p. 109107, 2025.
, “Graphene oxide-based and porous nanocarriers for drug delivery developed with computational and experimental approaches”, Surfaces and Interfaces, vol. 76, p. 107860, 2025.