Structure-based virtual screening, molecular docking, and MD simulation studies: An in-silico approach for identifying potential MBL inhibitors - Emira Noumi; Mejdi Snoussi; Nouha Bouali; Mamdouh M. Alshammari; Hisham N. Altayb; Muhammad Afzal; Vincenzo De Feo (PLoS ONE, 2025)