Docking and ligand strain

Docks the compounds with Glide. The docking pose are minimized to a local minimum and a conformational search is run to find the global minimum.
Calculates the conformation energy difference between the local and the global minima.
Aligns the global and local minimum conformations on the initial binding pose.

[32163] 22.2.4
See more details on https://kni.me/w/A9n-cVAz4wGXJQTS