Changes for page Molecular Tools: computation of dissociation rates
Last modified by giuliadarrigo on 2023/06/26 14:11
From version 38.1
edited by giuliadarrigo
on 2023/06/14 09:43
on 2023/06/14 09:43
Change comment:
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To version 44.1
edited by giuliadarrigo
on 2023/06/26 14:11
on 2023/06/26 14:11
Change comment:
There is no comment for this version
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Page properties (2 modified, 0 added, 0 removed)
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... ... @@ -1,1 +1,1 @@ 1 -Molecular Tools: computation of unbindingrates1 +Molecular Tools: computation of dissociation rates - Content
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... ... @@ -36,15 +36,24 @@ 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-ProteinDissociationrates**:JupyterNotebooks/PP-kinetics.ipynb41 +**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