Last modified by giuliadarrigo on 2023/06/26 14:11
From version 38.1
edited by giuliadarrigo
on 2023/06/14 09:43
Change comment: There is no comment for this version
To version 44.1
edited by giuliadarrigo
on 2023/06/26 14:11
Change comment: There is no comment for this version

Summary

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Title
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1 -Molecular Tools: computation of unbinding rates
1 +Molecular Tools: computation of dissociation rates
Content
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36 36  (((
37 37  **Computation of Protein-Ligand Dissociation rates**: 
38 38  
39 -[[https:~~/~~/lab.ch.ebrains.eu/hub/user-redirect/lab/tree/drive/Shared%20with%20groups/Molecular%20Tools%3A%20computation%20of%20%20unbinding%20rates%20/Training_1011/Jupyter_Notebooks>>https://lab.ch.ebrains.eu/hub/user-redirect/lab/tree/drive/Shared%20with%20groups/Molecular%20Tools%3A%20computation%20of%20%20unbinding%20rates%20/Training_1011/Jupyter_Notebooks]]
39 +**1st_tutorial_tauRAMD_residencetime.ipynb** to estimate residence time from pre-computed RAMD trajectories.
40 40  
41 -**Computation of Protein-Protein Dissociation rates**:  Jupyter Notebooks/PP-kinetics.ipynb
41 +**2nd_tutorial_tauRAMD_egress-routes.ipynb **to investigate dissociation pathways from pre-computed RAMD trajectories.
42 42  
43 -[[https:~~/~~/lab.ebrains.eu/user/dariak/lab/tree/drive/Shared%20with%20all/Molecular%20Tools:%20computation%20of%20%20unbinding%20rates%20>>https://lab.ebrains.eu/user/dariak/lab/tree/drive/Shared%20with%20groups/Molecular%20Tools:%20computation%20of%20%20unbinding%20rates%20]]
44 -)))
43 +{{jupyterlink}}
44 +https://lab.ch.ebrains.eu/hub/user-redirect/lab/tree/shared/Molecular%20Tools%3A%20computation%20of%20dissociation%20rates%20/Training_220623/Jupyter_Notebooks
45 +{{/jupyterlink}}
45 45  
47 +**Computation of Protein-Protein Dissociation rates**:
46 46  
49 +under development
47 47  
51 +{{jupyterlink}}
52 +https://lab.ch.ebrains.eu/hub/user-redirect/lab/tree/shared/Molecular%20Tools%3A%20computation%20of%20dissociation%20rates%20/Archive/PP-kinetics.ipynb
53 +{{/jupyterlink}}
54 +)))
55 +
56 +
48 48  
49 49  )))
50 50