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Blind protein-RNA
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brianjimenez committed Nov 11, 2024
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12 changes: 2 additions & 10 deletions workshops/talca24/blind_docking/index.md
Original file line number Diff line number Diff line change
Expand Up @@ -33,12 +33,10 @@ The server is built in a way that reduces the complexity of setting up a simulat

### 2.1. Step 1

First things first. If you decided to register, please *Log in*. Alternatively, you can head to *Submit a new run >>*. Choose a name for your run (e.g. EMBO2023-RNA_fantasy) and upload your receptor and ligand PDB files. Once you are set, click on *Next Step*.
First things first. If you decided to register, please *Log in*. Alternatively, you can head to *Submit a new run >>*. Choose a name for your run (e.g. protein-RNA) and upload your receptor and ligand PDB files. Once you are set, click on *Next Step*.

<center>
<img src="blind_docking/images/step1.png">
<br>
<b>Step 1</b>
<br><br>
</center>

Expand All @@ -54,8 +52,6 @@ Click on *Next Step*

<center>
<img src="blind_docking/images/step2.png">
<br>
<b>Step 2</b>
<br><br>
</center>

Expand All @@ -67,8 +63,6 @@ Also, you can enable flexibility using Anisotropic Network Model (ANM) and the n

<center>
<img src="blind_docking/images/step3.png">
<br>
<b>Step 3</b>
<br><br>
</center>

Expand All @@ -79,7 +73,6 @@ Once the simulation finishes, the top 5 models according to their scores are dis

<center>
<img src="blind_docking/images/step4.png">
<br>
<br><br>
</center>

Expand All @@ -89,7 +82,6 @@ If we look at the scores of the top models, we see that there are no significant

<center>
<img src="blind_docking/images/step5.png">
<br>
<br><br>
</center>

Expand All @@ -104,4 +96,4 @@ The motivation of this test was to see whether the *blind* protocol of LightDock
<br><br>
</center>

[Here](https://server.lightdock.org/job/run/604eb52e5798ae0d011c1f799d801044925775bf612948d2a8b8e62c615b3a51), you can check the results of the simulation.
[Here](https://server.lightdock.org/job/run/e3b878dd7a2f7396fd08ccca56bd4f2ab243223f4013433c89761742f301276e), you can check the results of the simulation.

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