Is it possible to run the screening of ligand databases with one processor? If so, how much time would it take to complete the screening?

You can run a Glide job on a single processor if you wish, and you can split a large job into multiple subjobs that run sequentially, which can be useful for job restartability and load balancing. This is recommended if you have a large number of ligands, as Glide can fail if you run a large number of ligands in a single job.

The time to run a screen depends on a lot of variables (e.g., computer speed, grid size, average ligand size). However, some rough estimates are

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, time taken to dock

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