Molecular Docking Guide: PyRx, Discovery Studio & CB-Dock2

Learn protein-ligand docking, binding site prediction, and result analysis with free tools for drug discovery research.

What you’ll learn
Section 1: Finding Receptor & Ligand Files for Free
Section 2: Docking with PyRx
Section 3: Visualization & Analysis with Discovery Studio
Section 4: Web-Based Docking with CB-Dock2
Section 5: Quiz & Knowledge Check
Section 6: Conclusion & Research Guidance

Requirements
Requirements / Prerequisites for Taking This Course: Basic computer skills (file downloading, installing software, navigating folders). Interest in drug discovery, bioinformatics, or molecular biology (no advanced knowledge required). A laptop or desktop computer with internet access. Software access: PyRx (free to download) Discovery Studio Visualizer (free academic version) CB-Dock2 (web-based, no installation required) Optional background knowledge in biology, chemistry, or pharmacy will be helpful, but the course is designed so beginners can follow along step by step.

Description
Explore the exciting field of molecular docking with this step-by-step course tailored for beginners, students, and researchers in pharmacy, chemistry, biology, and bioinformatics. Molecular docking plays a vital role in predicting protein-ligand interactions, supporting drug discovery, and advancing modern research. In this course, you will gain hands-on experience with three powerful tools: PyRx, Discovery Studio, and CB-Dock2.You will begin by learning how to access and prepare receptor proteins and ligands from free, trusted databases such as the Protein Data Bank (PDB), PubChem, ZINC, and ChEMBL. With PyRx, you will set up docking simulations, perform virtual screenings, and evaluate docking scores to identify potential drug candidates. Moving into Discovery Studio, you will visualize docking results, analyze hydrogen bonds and hydrophobic interactions, and generate professional 2D and 3D diagrams suitable for research papers, theses, and presentations. Using CB-Dock2, you will explore cavity detection, automatic binding site prediction, and flexible docking to complement your workflow.By the end of this course, you will be able to confidently conduct docking studies, interpret results, and apply molecular docking techniques to your own research projects. No prior docking experience is required everything is explained in a simple, practical way so you can progress from beginner to research-ready step by step.

Who this course is for
Researchers
Students
PHD HOLDERS
All medical students interested in research
Teachers

https://www.udemy.com/course/molecular-docking-guide-pyrx-discovery-studio-cb-dock2/