Docking of user defined library of ligands in V.F

VFLP VFLP 1
#1

Dear V.F team.

I would like to implement the user defined library which consists of ~ 100350 ligands in sdf format. I would like to dock these ligands to the RNA.

So could you please suggest to me how I can implement this user defined library in virtual flow and start docking ?.

Thank you for your time and consideration.

– Vas

#2

Dear Vas,

Welcome to the VirtualFlow forum.

Docking against RNA is possible, as long as you have a 3 dimenstional structure available.

You will need to use at first VFLP to prepare your library. Details on how to do this can be found here in the documentation:

https://docs.virtual-flow.org/documentation/-LdE8RH9UN4HKpckqkX3/

Secondly, you will need to use VFVS to screen your (with VFLP) prepared library. Details on how to do this can be found in the documentation as well.

If some steps should be unclear, please let me know.

Best,
Christoph