molecular docking of thousands of proteins with a ligand
Entering edit mode
10 months ago
iamsmor • 0

Hello everyone

I am trying do molecular docking almost more than a thousand proteins with a ligand but if I am using autodock vina I should use adt for every protein make config file then docking. Maybe someone can suggest me to write a script so I can automate it, but I'm not sure how to improve it and I couldn't find many resources. Or should I do blind docking, if so, how can I use the autodock vina for this? If I can't do these, should I use another program for blind docking?

autodock-vina blind-docking • 283 views

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