Changes for page Molecular Tools: computation of dissociation rates
Last modified by giuliadarrigo on 2023/06/26 14:11
From version 21.1
edited by dariak
on 2020/10/11 15:30
on 2020/10/11 15:30
Change comment:
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To version 33.1
edited by giuliadarrigo
on 2022/09/17 10:29
on 2022/09/17 10:29
Change comment:
There is no comment for this version
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... ... @@ -2,11 +2,13 @@ 2 2 ((( 3 3 (% class="container" %) 4 4 ((( 5 +((( 5 5 = Molecular Tools: computation of unbinding rates = 7 +))) 6 6 7 - Authors:D.Kokh9 +This collab contains a set of tools and tutorials for analysing and computing unbinding rates of protein-small molecule and protein-protein complexes. 8 8 9 - //Thiscollabis under development//11 +Authors: D. Kokh, G. D'Arrigo, R. Wade 10 10 ))) 11 11 ))) 12 12 ... ... @@ -16,18 +16,28 @@ 16 16 ((( 17 17 = What can I find here? = 18 18 19 - *Jupyter Lab workflows that helps to setup, carry out, and analyze dissociation of protein-drug and protein-protein complexes21 +Jupyter Lab workflows that helps to setup, carry out, and analyze dissociation of protein-drug and protein-protein complexes 20 20 23 + 24 +(% style="text-align:center" %) 25 +[[image:workflow.png||alt="tauRAMD_workflow"]] 26 + 27 + 21 21 = Who has access? = 22 22 23 23 All EBRAINS users 24 24 25 25 26 -(% class="text-uppercase" %)Jup iter notebooks:33 +(% class="text-uppercase" %)Jupyter notebooks: 27 27 28 28 (% class="box" %) 29 29 ((( 30 -[[https:~~/~~/lab.ebrains.eu/user/dariak/lab/tree/drive/Shared%20with%20groups/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]] 37 +**Computation of Protein-Protein Unbinding rates**: Jupyter Notebooks/PP-kinetics.ipynb 38 + 39 +[[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]] 40 + 41 + 42 +**Computation of Protein-Ligand Unbinding rates**: under development 31 31 ))) 32 32 33 33
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