This MD simulation illustrates stable binding of Naringin to the ATP-binding cavity of CDK1 as seen from the trajectory movie and minimum distance plot between Naringin and CDK1
MD trajectory of 100 nanosec (left) showing Naringin stably bound to the ATP-binding cavity of CDK1. Minimum distance between Naringin and CDK1 (right) is represented as the running average (over 10 frames), with absolute minimum distance represented as dashed line. The minimum distance calculations were performed using the gmx mindist program of GROMACS 2020.4 program.
