Difference between revisions of "Team:NTHU Taiwan/Model/result Amber"
| Line 245: | Line 245: | ||
</video> | </video> | ||
</div> | </div> | ||
| − | <p>The molecules displayed are the activity site of fac-dex(Aspartic acid(Asp) and Histidine(His)) and the | + | <p>The molecules displayed are the activity site of fac-dex(Aspartic acid(Asp) and Histidine(His)) and the target(fluoroacetic acid, PFOA or PFOS).</p> |
| − | <p>The movie | + | <p>The movie shows what happened with 800 frames in 2ns.</p> |
</div> | </div> | ||
<div class="MDResult" id="webGL_animation"> | <div class="MDResult" id="webGL_animation"> | ||
<div style="color:red;text-align:center;"><b>NOTE:</b> The data size of a result is about 110MB so it will take some time and memory to load a result.</div> | <div style="color:red;text-align:center;"><b>NOTE:</b> The data size of a result is about 110MB so it will take some time and memory to load a result.</div> | ||
<div style="color:red;text-align:center;">If your browser or computer can't load such the file, you can view the mp4 video that we made for you.</div> | <div style="color:red;text-align:center;">If your browser or computer can't load such the file, you can view the mp4 video that we made for you.</div> | ||
| − | <div style="text-align:center;"><p>We use the software, "Amber", to confirm if the compound can stay in the activity site and use the software, "VMD" and "Chimera", to export the result.</p></div> | + | <div style="text-align:center;"><p>We use the software, "Amber", to confirm if the compound can stay in the activity site and use the software, "VMD" and "Chimera", to export and show the result.</p></div> |
<br> | <br> | ||
<p>Choose a result that you want to view:</p> | <p>Choose a result that you want to view:</p> | ||
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<div>Delay:<input type="number" id="inputDelay" value="100">ms/frame</div> | <div>Delay:<input type="number" id="inputDelay" value="100">ms/frame</div> | ||
</div> | </div> | ||
| − | <p>The molecules displayed are the activity site of fac-dex(Aspartic acid(Asp) and Histidine(His)) and the | + | <p>The molecules displayed are the activity site of fac-dex(Aspartic acid(Asp) and Histidine(His)) and the target(fluoroacetic acid, PFOA or PFOS).</p> |
| − | <p>The animation | + | <p>The animation shows what happened with 40 frames in 2ns.</p> |
</div> | </div> | ||
</div> | </div> | ||
Revision as of 23:57, 19 October 2016
Amber Result
| webGL animation | Mp4 Files |
| PFOA | PFOS | Fluoroacetic Acid |
The molecules displayed are the activity site of fac-dex(Aspartic acid(Asp) and Histidine(His)) and the target(fluoroacetic acid, PFOA or PFOS).
The movie shows what happened with 800 frames in 2ns.
We use the software, "Amber", to confirm if the compound can stay in the activity site and use the software, "VMD" and "Chimera", to export and show the result.
Choose a result that you want to view:
| PFOA | PFOS | Fluoroacetic Acid |
The molecules displayed are the activity site of fac-dex(Aspartic acid(Asp) and Histidine(His)) and the target(fluoroacetic acid, PFOA or PFOS).
The animation shows what happened with 40 frames in 2ns.
After docking, we did the molecular dynamic simulation. By doing MD simulation, we know that our target ligands are able to stay in active site stably. This makes our project more possible.
