Скачать или смотреть Molecular Docking Tools – Part 2 | AutoDock, ADT, Discovery Studio & Open Babel

In this second part of the Molecular Docking lecture series, we focus on the practical understanding and usage of essential docking tools widely applied in drug discovery and in-silico research.

Topics covered in this lecture:
🔹 AutoDock 4.2 – Docking algorithm, scoring function, and binding energy calculation

🔹 MGL Tools / AutoDockTools (ADT) – Protein and ligand preparation, charge assignment, grid box setup

🔹 Post-installation configuration of AutoDock (copying autodock4 and autogrid4 executables)

🔹 Open Babel – Ligand format conversion and energy minimization

🔹 Discovery Studio Visualizer – 2D & 3D interaction analysis and visualization of docking results

Learning outcomes:
✔ Understand the role of each docking tool
✔ Learn step-wise docking workflow
✔ Gain practical knowledge useful for M.Pharm, PhD projects, and publications
✔ Build a strong foundation in structure-based drug design

📌 Recommended for: B.Pharm, M.Pharm, PhD scholars, GPAT/NIPER aspirants, and research beginners.

👉 Watch Part-1 for docking basics and theory before continuing with this lecture.

Pharmacy Training Center – Practical Learning for Future Pharmacists