Presenting Docking & MD Results in Your Thesis: Tables, Figures, Language

By BioDockify Computational Research Team · September 3, 2026 · Academic Writing

How to present docking and MD simulation results in a pharmacy thesis — which tables to include, reporting binding affinity correctly, 2D vs 3D interaction figures, and the language reviewers expect.

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

Key References

• Trott, O. & Olson, A.J. AutoDock Vina. J. Comput. Chem. 31, 455-461 (2010).
• Ferreira, L.G. et al. Molecular docking and structure-based drug design strategies. Molecules 20, 13384-13421 (2015).

Scope & Limitations

University formats differ — always check your institution template Examples assume Vina/GNINA outputs