Exploring potential allosteric activators of pyruvate Kinase: Insights from molecular docking, DFT and dynamics simulation studies. - Chandu Ala; Ishan Shrinivas Shet Honavarkar; Raul Sheldon Pinto; Sivaprakash Ramalingam; Chandra Sekhar Kondapalli Venkata Gowri; Sankaranarayanan Murugesan (Comput. Biol. Medicine, 2025)