This video, prepared by Dr. Jukić and Dr. Podlipnik, shows a bit of modeling performed by your computer for SiDock@home. A small molecule (moving one) tries to dock to the target molecule (fixed one, with a gray surface). The aim is to find a pose with the best binding energy. This process is somewhat similar to putting a key into a lock. Millions of "keys" are being checked, and for each one, the best binding pose is predicted. This is how virtual drug screening works, and a big work on results post-processing is ahead.

Dear Natalia,

thank you for excellent explanation of the docking proces.

(-: Crtomir