How long does it take to screen 10,000 compounds with Glide?

The docking time depends on many factors, including the size of the ligands, the size of the grids, the nature of the active site, the docking accuracy, and the speed of the machine. We suggest that you run a benchmark test with some fraction of the library with your target and your hardware to determine how long the entire library will take to screen.

The following numbers provide a rough estimate, based on the docking of 1000 ligands to the 1ett active site on a 2.2 GHz Opteron processor.

HTVS:	1.5 sec/compound	4 hours for 10,000 compounds
SP:	15 sec/compound	40 hours for 10,000 compounds
XP:	6 min/compound	1000 hours for 10,000 compounds

Keywords: Glide, CPU time, speed

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