Dock my own molecules

Jump to navigation Jump to search

How do I dock my own molecules using DOCK Blaster?

You can dock sets of 1000 ligands at a time by uploading them to ZINC. Three easy steps.

Use the upload feature of ZINC (1000 molecules at a time max) We recommend SMILES, one per line, with your own identifier separate by whitespace.

Wait for the upload to process. May take a few minutes, or could be longer due to server load.

In DOCK Blaster, select your subset on the "job watch" page

Database type: User-uploaded subset Database #: the number of the uploaded subset given in Step 1.

You can do this as many times as you like.

DOCK Blaster:FAQ