Tutorials, comparisons, and guides for molecular docking with AutoDock Vina, GNINA, and Glide.
Molecular Docking vs Molecular Dynamics: What’s the Difference and When to Use Each 11 min read Beginner to intermediate Molecular docking and molecular dynamics both appear constantly in structural biology papers, often in the same paper. But they answer completely different questions, run on very different timescales, and are appropriate in very different situations. Here’s…
What is Molecular Docking? A Beginner’s Guide for Structural Biologists 10 min read Beginner Molecular docking shows up constantly in structural biology papers — but most textbooks explain it with jargon that assumes you already understand it. This guide explains what docking is, how it actually works, why drug discovery depends on it, and where…
25 min read Beginner to intermediate Molecular docking is one of the most widely used techniques in computational drug discovery — but most tutorials assume you already know what you’re doing. This guide starts from scratch: what docking actually is, how to choose software, a step-by-step workflow, and the mistakes that trip up most beginners….