Among the growing number of molecular docking programs, AutoDock Vina remains one of the most widely used due to its efficiency and accuracy. It introduced a scoring function in 2010 that combines empirical and knowledge-based approaches, significantly improving both the speed and accuracy of docking predictions compared to its predecessor, AutoDock . Recent updates, including the development of the Vinardo scoring function, have further enhanced its capabilities by refining intermolecular interaction terms, particularly for hydrogen bonds and van der Waals interactions . These advancements make AutoDock Vina and Vinardo particularly effective in a wide range of drug discovery projects, and numerous derivative program packages have already been developed based on AutoDock Vina. Sarkar et al. have published a comprehensive summary of these different Vina branches .