Answer: S. N. Bose National Centre for Basic Sciences, Kolkata
Notes: PathGennie is a novel computational framework developed by scientists at S. N. Bose National Centre for Basic Sciences, Kolkata (DST autonomous institute). Published in the Journal of Chemical Theory and Computation, it accelerates simulation of rare molecular events for computer-aided drug discovery (CADD). It focuses on predicting drug unbinding from protein targets without artificial biases used in classical methods. PathGennie uses direction-guided adaptive sampling, launching many ultrashort unbiased MD trajectories and extending only productive ones (“survival of the fittest”).
