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degiacom authored Jan 21, 2025
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Expand Up @@ -63,9 +63,9 @@ The first Unit is dedicated to providing background on protein structure, and ho
| L1: Introduction to Proteins | [Lecture Slides](https://github.com/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/1_Introduction/Lecture_1_Introduction.pdf) |
| L2: Understanding Protein Systems | [Lecture Slides](https://github.com/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/2_Protein_Preparation/Lecture_2_Protein_Prep.pdf)
| L3: Protein-Ligand Docking | [Lecture Slides](https://github.com/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/3_Docking/Lecture_3_Docking.pdf)|
| P: Protein-Ligand Docking | [![Docking](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/3_Docking/3_Docking.ipynb)|
| P: Protein-Ligand Docking | [Notebook](https://colab.research.google.com/github/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/3_Docking/3_Docking.ipynb)|
| L4: Simulation Setup | [Lecture Slides](https://github.com/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/4_Simulation_Setup/Lecture_4_Simulation_setup.pdf) |
| P: Simulation Setup | [![Simulation](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/4_Simulation_Setup/4_Simulation_Setup.ipynb) |
| P: Simulation Setup | [Notebook](https://colab.research.google.com/github/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/4_Simulation_Setup/4_Simulation_Setup.ipynb) |

### Unit 2: Simulation Analysis

Expand All @@ -74,14 +74,14 @@ The second Unit is dedicated to providing the students with means to extract rel
| Session | Materials |
|-----------------------------------------------------|-----------|
| L5: Simulation Basic Analyses | [Lecture Slides](https://github.com/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/5_Analysis_MDAnalysis/Lecture_5_Analysis_MDAnalysis.pdf)|
| P: Simulation Basic Analyses | [![Analysis_0](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/5_Analysis_MDAnalysis/5_Analysis_MDAnalysis.ipynb)|
| P: Simulation Basic Analyses | [Notebook](https://colab.research.google.com/github/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/5_Analysis_MDAnalysis/5_Analysis_MDAnalysis.ipynb)|
| L6: Dimensionality Reduction | [Lecture Slides](https://github.com/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/6_Analysis_DR/Lecture_6_DR.pdf) |
| P: Dimensionality Reduction, part 1 | [![Analysis_1](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/6_Analysis_DR/6_Analysis_part1.ipynb)|
| P: Dimensionality Reduction, part 2 | [![Analysis_2](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/6_Analysis_DR/6_Analysis_part2.ipynb)|
| P: Dimensionality Reduction, part 1 | [Notebook](https://colab.research.google.com/github/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/6_Analysis_DR/6_Analysis_part1.ipynb)|
| P: Dimensionality Reduction, part 2 | [Notebook](https://colab.research.google.com/github/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/6_Analysis_DR/6_Analysis_part2.ipynb)|
| L7: Clustering | [Lecture Slides](https://github.com/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/7_Analysis_clustering/Lecture_7_Clustering.pdf)|
| P: Clustering | [![Analysis_3](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/7_Analysis_clustering/7_clustering.ipynb) |
| P: Clustering | [Notebook](https://colab.research.google.com/github/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/7_Analysis_clustering/7_clustering.ipynb) |
| L8: Data Classification | [Lecture Slides](https://github.com/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/8_Analysis_classification/Lecture_8_classification.pdf) |
| P: Data Classification | [![Analysis_4](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/8_Analysis_classification/1_classification.ipynb) |
| P: Data Classification | [Notebook](https://colab.research.google.com/github/CCPBioSim/Into_to_MD_simulation_and_analysis/blob/main/8_Analysis_classification/1_classification.ipynb) |


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