How to Perform Molecular Docking Using PyRx? - Complete Demonstration / Step by Step Guide

In this video, we dive into the world of molecular docking and provide a comprehensive demonstration of how to perform it using PyRx software! If you're new to molecular docking or looking for a straightforward tutorial, this guide will walk you through each step, from setting up PyRx to analyzing your results. Whether a student, researcher, or industry professional, this video is tailored to help you get hands-on experience with one of the most widely used tools in drug discovery and structural biology.

🧪 Topics Covered:

Introduction to Molecular Docking – Why and where it’s used
Installing PyRx – A quick setup guide
Preparing Ligands and Receptors – What files you need and where to get them
Step-by-Step Docking Process – A guided, practical demonstration in PyRx
Analyzing Docking Results – Tips on interpretation and next steps

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🎯 Key Takeaways:

Learn molecular docking basics and best practices
Gain confidence using PyRx for docking experiments
Tips for successful docking and insights into result interpretation

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