Skip to content

Commit

Permalink
Updated planning
Browse files Browse the repository at this point in the history
  • Loading branch information
UAMCAntwerpen committed Oct 25, 2023
1 parent 3365e49 commit b6c55b5
Showing 1 changed file with 12 additions and 13 deletions.
25 changes: 12 additions & 13 deletions Planning.md
Original file line number Diff line number Diff line change
Expand Up @@ -7,20 +7,19 @@ This course takes one semester, and the five topics are covered over a total of

| Date | Topic | Task |
|:-----+:------|------|
| 25/10 | [Representing molecules in the computer](Topic_01.md) | <a href="Topic_01/Slides_01.pdf" download>Lecture</a> |
| 06/11 | [Representing molecules in the computer](Topic_01.md) | <a href="https://githubtocolab.com/UAMCAntwerpen/2040FBDBIC/blob/master/Topic_01/Chemical_informatics_with_RDKit.ipynb" target="_blank">Exercises</a> |
| 06/11 | [Clustering and machine learning](Topic_02.md) | <a href="Topic_02/Slides_02.pdf" download>Lecture</a> |
| 10/11 | [Clustering and machine learning](Topic_02.md) | <a href="https://githubtocolab.com/UAMCAntwerpen/2040FBDBIC/blob/master/Topic_02/Clustering_and_machine_learning.ipynb" target="_blank">Exercises</a> |
| 13/11 | [Pharmacophore searching, docking and virtual screening](Topic_03.md) | <a href="Topic_03/Slides_03.pdf" download>Lecture</a> |
| 13/11 | [Pharmacophore searching](Topic_03.md) | <a href="Topic_03/Pharmacophore_Searching.pdf" download>Exercise</a> |
| 21/11 | [Molecular docking](Topic_03.md) | <a href="Topic_03/gb-docking-ls.pdf" download>Exercise</a> |
| 29/11 | [Virtual screening](Topic_03.md) | <a href="Topic_03/bs-sbvs-ls.pdf" download>Exercise</a> |
| 04/12 | **Own computational drug discovery project** | Brainstorm and application |
| 25/10 | [1. Representing molecules in the computer](Topic_01.md) | <a href="Topic_01/Slides_01.pdf" download>Lecture</a> |
| 06/11 | [1. Representing molecules in the computer](Topic_01.md) | <a href="https://githubtocolab.com/UAMCAntwerpen/2040FBDBIC/blob/master/Topic_01/Chemical_informatics_with_RDKit.ipynb" target="_blank">Exercises</a> |
| 06/11 | [2. Clustering and machine learning](Topic_02.md) | <a href="Topic_02/Slides_02.pdf" download>Lecture</a> |
| 10/11 | [2. Clustering and machine learning](Topic_02.md) | <a href="https://githubtocolab.com/UAMCAntwerpen/2040FBDBIC/blob/master/Topic_02/Clustering_and_machine_learning.ipynb" target="_blank">Exercises</a> |
| 13/11 | [3. Pharmacophore searching, docking and virtual screening](Topic_03.md) | <a href="Topic_03/Slides_03.pdf" download>Lecture</a> |
| 13/11 | [3. Pharmacophore searching](Topic_03.md) | <a href="Topic_03/Pharmacophore_Searching.pdf" download>Exercise</a> |
| 21/11 | [3. Molecular docking](Topic_03.md) and [3. Virtual screening](Topic_03.md) | <a href="Topic_03/gb-docking-ls.pdf" download>Exercise</a> <br> <a href="Topic_03/bs-sbvs-ls.pdf" download>Exercise</a> |
| 29/11 | **Own computational drug discovery project** | Brainstorm and application |
| 06/12 | **Own computational drug discovery project** | Application and results |
| 06/12 | [Force fields, molecular mechanics and dynamics](Topic_04.md) | <a href="Topic_04/Slides_04.pdf" download>Lecture</a> |
| 13/12 | [Molecular dynamics](Topic_04.md)| <a href="https://githubtocolab.com/UAMCAntwerpen/2040FBDBIC/blob/master/Topic_04/Protein_ligand_MD.ipynb" target="_blank">Exercise</a> |
| 15/12 | [Artificial intelligence in computational drug design](Topic_05.md) | <a href="Topic_05/AI_in_drug_discovery.pdf" download>Guest lecture</a> |
| - | [Virtual reality in computational drug design](Topic_05.md) | Hands-on experience |
| 06/12 | [4. Force fields, molecular mechanics and dynamics](Topic_04.md) | <a href="Topic_04/Slides_04.pdf" download>Lecture</a> |
| 13/12 | [4. Molecular dynamics](Topic_04.md)| <a href="https://githubtocolab.com/UAMCAntwerpen/2040FBDBIC/blob/master/Topic_04/Protein_ligand_MD.ipynb" target="_blank">Exercise</a> |
| 13/12 | [5. Artificial intelligence in computational drug design](Topic_05.md) | <a href="Topic_05/AI_in_drug_discovery.pdf" download>Guest lecture</a> |
| 15/12 | [5. Virtual reality in computational drug design](Topic_05.md) | Hands-on experience |



Expand Down

0 comments on commit b6c55b5

Please sign in to comment.