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Updated planning
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UAMCAntwerpen committed Oct 25, 2023
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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 |
|:-----|:------|
| 25/10 | [Topic 1. Representing molecules in the computer:](Topic_01.md) <a href="Topic_01/Slides_01.pdf" download>Lecture slides</a> |
| 06/11 | [Topic 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 | [Topic 2. Clustering and machine learning:](Topic_02.md) <a href="Topic_02/Slides_02.pdf" download>Lecture slides</a> |
| 10/11 | [Topic 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 | [Topic 3. Pharmacophore searching, docking and virtual screening:](Topic_03.md) <a href="Topic_03/Slides_03.pdf" download>Lecture slides</a> |
| 13/11 | [Topic 3. Pharmacophore searching, docking and virtual screening:](Topic_03.md) <a href="Topic_03/Pharmacophore_Searching.pdf" download>Pharmacophore searching exercise</a> |
| 21/11 | [Topic 3. Pharmacophore searching, docking and virtual screening:](Topic_03.md) <a href="Topic_03/gb-docking-ls.pdf" download>Docking exercise</a><br><a href="Topic_03/bs-sbvs-ls.pdf" download>Virtual screening exercise</a> |
| Date | [Topic 1: Representing molecules in the computer](Topic_01.md) |
|:------|:---------------------------------------------------------------|
| 25/10 | <a href="Topic_01/Slides_01.pdf" download>Lecture slides</a> |
| 06/11 | <a href="https://githubtocolab.com/UAMCAntwerpen/2040FBDBIC/blob/master/Topic_01/Chemical_informatics_with_RDKit.ipynb" target="_blank">Google Colab exercises</a> |


| Date | [Topic 2. Clustering and machine learning:](Topic_02.md) |
|:----- |:---------------------------------------------------------------|
| 06/11 | <a href="Topic_02/Slides_02.pdf" download>Lecture slides</a> |
| 10/11 | <a href="https://githubtocolab.com/UAMCAntwerpen/2040FBDBIC/blob/master/Topic_02/Clustering_and_machine_learning.ipynb" target="_blank">Google Colab exercises</a> |


| Date | [Topic 3. Pharmacophore searching, docking and virtual screening:](Topic_03.md) |
|:------|:--------------------------------------------------------------------------------|
| 13/11 | <a href="Topic_03/Slides_03.pdf" download>Lecture slides</a> |
| 13/11 | <a href="Topic_03/Pharmacophore_Searching.pdf" download>Schrodinger pharmacophore searching exercise</a> |
| 21/11 | <a href="Topic_03/gb-docking-ls.pdf" download>Schrodinger docking exercise</a><br><a href="Topic_03/bs-sbvs-ls.pdf" download>Schrodinger virtual screening exercise</a> |
| 29/11 | Own computational drug discovery project: brainstorm and application |
| 04/12 | Own computational drug discovery project: application and results |
| 06/12 | [Topic 4. Force fields, molecular mechanics and dynamics:](Topic_04.md) <a href="Topic_04/Slides_04.pdf" download>Lecture slides</a> |
| 06/12 | [Topic 4. Force fields, molecular mechanics and dynamics:](Topic_04.md) | <a href="https://githubtocolab.com/UAMCAntwerpen/2040FBDBIC/blob/master/Topic_04/Protein_ligand_MD.ipynb" target="_blank">Molecular dynamics exercise</a> |
| 13/12 | [Topic 5. Artificial intelligence and VR in computational drug design:](Topic_05.md) <a href="Topic_05/AI_in_drug_discovery.pdf" download>Guest lecture</a> |
| 15/12 | [Topic 5. Artificial intelligence and VR in computational drug design:](Topic_05.md) Virtual reality exercise |


| Date | [Topic 4. Force fields, molecular mechanics and dynamics:](Topic_04.md) |
|:------|:-------------------------------------------------------------------------|
| 06/12 | <a href="Topic_04/Slides_04.pdf" download>Lecture slides</a> |
| 06/12 | <a href="https://githubtocolab.com/UAMCAntwerpen/2040FBDBIC/blob/master/Topic_04/Protein_ligand_MD.ipynb" target="_blank">Google Colab molecular dynamics exercise</a> |


| Date | [Topic 5. Artificial intelligence and VR in computational drug design:](Topic_05.md) |
|:------|:--------------------------------------------------------------------------------------|
| 13/12 | <a href="Topic_05/AI_in_drug_discovery.pdf" download>Guest lecture</a> |
| 15/12 | Virtual reality exercise |



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