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- July 2, 2021 at 3:20 pm #37273Lee HermanGuest
At the SAGIM online event I suggested that Webina automatically takes the ligand from a co-crystal and guesses at the docking box. I’d like to expand on that idea.
Given a co-crystal, why not have Webina:
1. Put the ligand into the Correct Pose.
2. Put a randomized version of the ligand into the Ligand.
3. Use the ligand to guess the Docking Box.
This way, one can do a very quick validation of the method, with little effort.