Docking & Binding · Koes Lab
A Vina fork with custom scoring — the fragment-docking specialist.
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Runs on On-demand GPU
Runs on our servers with on-demand compute. A first run needs time to load the model; active capacity can be reused and scales down when idle.Run this model
About this model
SMINA exposes the scoring function so you can tune or replace terms, and it handles fragment-sized ligands better than stock Vina. The pragmatic choice for fragment-based campaigns.
Standardized I/O contract
Every model in the Hub speaks the same contract, which is what lets the Router and the agent call any of them without special-casing.
Inputs
Receptor (PDB or entry code)
Ligand SMILES
Scoring function
Search box centre
Search box size (A)
Exhaustiveness
Poses to return
Outputs
All-atom coordinates in PDB format, viewable and downloadable.
Poses ranked by the chosen scoring function.
