vsFilt: a tool to improve virtual screening
by structural filtration of docking poses

Version 1.0

Choose input mode

Submit a new task
Claim your results by TaskID (access the results and progress log of a previously submitted task)
Submit docked ligand poses, protein structure, and the interaction profile or access a previous submission by TaskID

Submit a new task

Docked ligand poses

Upload a file with docked ligand poses in SDF format. File size must not exceed 500 MB. File extention must be "sdf" for plain text format or "tgz" for a TAR-GZ archive . E.g.: library.sdf or library.tgz.
Protein 3D-model

Upload a file with protein structure in the PDB format. File size must not exceed 10 MB. File extention must be "pdb". E.g.: protein.pdb.
Security and sharing
No Yes

No Yes

vsFilt protein-ligand interaction profile
Create and edit on-site Upload as a text file
Ligand Protein # of interactions Action
funcional group resname resnum chain

Add at least one filtering rule

Paste/create/edit your interaction profile (at most 5000 characters)
Additional vsFilt constraints for H-bonds
No Yes
No Yes