Design of BBB permeable BACE-1 inhibitor as potential drug candidate for Alzheimer disease: 2D-QSAR, molecular docking, ADMET, molecular dynamics, MMGBSA. - Navneet Kaur; Saurabh Gupta; Jatin Pal; Yogita Bansal; Gulshan Bansal (Comput. Biol. Chem., 2025)