Antibacterial flavonoid derivatives: in silico ADMET, DFT, Molecular Docking, MD Simulation and in vitro verification - Atif Ishfaq; Affifa Tajammal; Riaz Maira; Aisha Waheed Qureshi; Babar Aleeza; Muhammad Asim Raza Basra (In Silico Pharmacology, 2026)