What Is Virtual Screening? LBDD vs SBDD Explained

By BioDockify Computational Research Team · September 17, 2026 · Virtual Screening

What is virtual screening — ligand-based vs structure-based screening, how many compounds you can screen, realistic hit rates, and the complete workflow from library to hits.

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

Key References

• Lyu, J. et al. Ultra-large library docking for discovering new chemotypes. Nature 566, 224-229 (2019).
• Ferreira, L.G. et al. Molecular docking and structure-based drug design strategies. Molecules 20, 13384-13421 (2015).

Scope & Limitations

Hit rates vary widely by target and library Virtual hits require experimental validation