This course takes one semester, and the five topics are covered over a total of 14 classes. The actual planning of these classes is provided in this overview:

Date Topic 1: Representing molecules in the computer
Oct 25 Lecture slides
Nov 06 Google Colab exercises
Date Topic 2. Clustering and machine learning
Nov 06 Lecture slides
Nov 10 Google Colab exercises
Date Topic 3. Pharmacophore searching, docking and virtual screening
Nov 13 Lecture slides
Nov 13 Schrodinger pharmacophore searching exercise
Nov 21 Schrodinger docking exercise
Schrodinger virtual screening exercise
Nov 29 Own computational drug discovery project: brainstorm and application
Dec 04 Own computational drug discovery project: application and results
Date Topic 4. Force fields, molecular mechanics and dynamics
Dec 06 Lecture slides
Dec 06 Google Colab molecular dynamics exercise
Date Topic 5. Artificial intelligence and VR in computational drug design
Dec 13 Guest lecture
Dec 15 Virtual reality exercise

Things to do: