A computational journey in anticancer drug discovery: Exploring AKT1 inhibition by novel oxadiazoles using molecular docking, ADMET, density functional theory and molecular dynamic simulation. - Gauri Alias Pooja Naik; Omkar Paradkar; Vishnu Sharma; Shubham Kumar; Pawan Gupta; Pankaj Wadhwa (Comput. Biol. Chem., 2025)