A computational drug discovery approach was performed using the AutoDock tool to identify potential MAPK3 inhibitors from 46 plant-based flavonoids. 
AutoDock
A cross-validation study was executed using the Schrödinger Maestro docking tool. 
Schrödinger Maestro docking tool
Interactions among the most potent MAPK3 inhibitors and residues within the receptor's active site were studied using the BIOVIA Discovery Studio Visualizer before and after 100 ns MD simulations.



BIOVIA Discovery Studio Visualizer