Computer Aided Drug Design Course
What will I learn?
Gain a solid understanding of the full computer-aided drug design pipeline, covering pharmacology, protein structure preparation, molecular docking, virtual screening, pharmacophore modelling, QSAR, and molecular dynamics. Learn to retrieve and curate data from major chemical and biological databases, prepare receptor and ligand structures to publication standards, and run high-throughput docking campaigns. The course also covers ML methods for property prediction, de novo molecular generation, and Python-based cheminformatics automation. Advanced topics feature covalent and fragment-based design, protein-protein interaction targeting, and ADMET prediction. By course end you will be able to design, execute, and communicate integrated CADD strategies in a research setting.
Elevify advantages
Develop skills
- Molecular Docking: Set up, run, and critically analyse docking experiments against drug targets.
- Virtual Screening: Design and execute end-to-end screening campaigns to identify viable hit compounds.
- MD Simulations: Build, equilibrate, and analyse molecular dynamics trajectories for binding insights.
- Lead Optimisation: Apply integrated CADD workflows to improve potency, selectivity, and ADMET profiles.
Suggested summary
Before starting, you can change the chapters and the workload. Choose which chapter to start with. Add or remove chapters. Increase or decrease the course workload.What our students say
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