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2026	Discovery of a novel Keap1 inhibitor for neurodegeneration through virtual screening and molecular dynamics simulations PLOS One Md. Mazedul Hasan, Md. Shaki Mostaid, Asim Kumar Bepari, Hasan Mahmud Reza, Murad Hossain
2025	Targeting necroptosis in MCF-7 breast cancer cells: In Silico insights into 8,12-dimethoxysanguinarine from Eomecon Chionantha through molecular docking, dynamics, DFT, and MEP studies PLOS ONE Maram B. Alhawarri, Mohammad G. Al-Thiabat, Amit Dubey, Aisha Tufail, Katreen Banisalman, Ghazi A. Al Jabal, Eman Alkasasbeh, Esra’a Ibrahim Al-Trad, Bilal Harieth Alrimawi
2024	Discovery of a Novel Chemo-Type for TAAR1 Agonism via Molecular Modeling Molecules Giancarlo Grossi, Naomi Scarano, Francesca Musumeci, Michele Tonelli, Evgeny Kanov, Anna Carbone, Paola Fossa, Raul R. Gainetdinov, Elena Cichero, Silvia Schenone
2024	Virtual Screening of Small Molecules Targeting BCL2 with Machine Learning, Molecular Docking, and MD Simulation Biomolecules Abtin Tondar, Sergio Sánchez-Herrero, Asim Kumar Bepari, Amir Bahmani, Laura Calvet Liñán, David Hervás-Marín