From Vina Screening to Full GNINA: A Conditional Docking Workflow

By BioDockify Computational Research Team · August 10, 2026 · Consensus Docking

How to design a conditional docking workflow where Vina screens first and GNINA runs only on promising compounds. Reduces compute cost by 50-70% while maintaining accuracy.

Read the complete article with tables, code and references on BioDockify.

Key References

• McNutt, A.T. et al. GNINA. J. Cheminform. 13, 43 (2021).
• Trott, O. & Olson, A.J. AutoDock Vina. J. Comput. Chem. 31, 455-461 (2010).

Scope & Limitations

Threshold tuning affects recall — may miss some true binders GNINA requires GPU RF-Score is optional but improves ranking