PathGennie Software for Fast-Tracking Drug Discovery:
The Ministry of Science and Technology has developed PathGennie, a new open-source computational software that significantly accelerates drug discovery by accurately simulating drug–protein unbinding.PathGennie is an open-source computational framework designed to efficiently simulate rare molecular events, especially drug unbinding from protein targets, without introducing artificial distortions.
It helps predict drug residence time, a key factor in drug efficacy and safety.Developed by: Scientists at S. N. Bose National Centre for Basic Sciences, Kolkata.Aim is to overcome limitations of traditional molecular dynamics simulations in capturing slow, rare molecular transitions.,to provide physically accurate pathways for drug–protein interactions while reducing computational cost and time.
