Lecture 12A
Docking
Foundations
Date: Apr 1, 2025
This lecture delves into molecular docking and virtual screening, essential techniques in computational drug discovery. The session will cover different docking algorithms, scoring functions, and strategies for improving virtual screening efficiency and accuracy.
Learning objectives¶
After today, you should have a better understanding of:
- Drug targets
- Structure-based drug design
- Thermodynamics of binding
- Protein conformations
- Binding pockets
- Scoring functions
- Pose optimization
Presentation¶
- View: slides.com/aalexmmaldonado/biosc1540-l12a
- Live link: slides.com/d/LPBvUgQ/live
- Download: biosc1540-l12a.pdf