Molecular dynamics-driven optimization of triterpenoid, amidinium, and flavonoid inhibitors targeting dengue NS2B-NS3 protease. - Farkad Bantun; Navaneet Chaturvedi; Naif A. Jalal; Hani Faidah; Ahmad O. Babalghith; Abdullah F. Aldairi; Shafiul Haque; Vijay Kumar (Comput. Biol. Chem., 2026)