Changes for page Molecular Tools: computation of dissociation rates
Last modified by giuliadarrigo on 2023/06/26 14:11
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... ... @@ -2,11 +2,11 @@ 2 2 ((( 3 3 (% class="container" %) 4 4 ((( 5 +* ((( 5 5 = Molecular Tools: computation of unbinding rates = 7 +))) 6 6 7 7 Authors: D. Kokh 8 - 9 -//This collab is under development// 10 10 ))) 11 11 ))) 12 12 ... ... @@ -16,8 +16,13 @@ 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 complexes19 +Jupyter Lab workflows that helps to setup, carry out, and analyze dissociation of protein-drug and protein-protein complexes 20 20 21 + 22 +(% style="text-align:center" %) 23 +[[image:workflow.png||alt="tauRAMD_workflow"]] 24 + 25 + 21 21 = Who has access? = 22 22 23 23 All EBRAINS users ... ... @@ -27,7 +27,12 @@ 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]] 35 +**Computation of Protein-Protein Unbinding rates**: Jupyter Notebooks/PP-kinetics.ipynb 36 + 37 +[[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]] 38 + 39 + 40 +**Computation of Protein-Ligand Unbinding rates**: under development 31 31 ))) 32 32 33 33
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