Team:NTHU Taiwan/Model/result Amber

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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 targets(fluoroacetic acid, PFOA, PFOS).

The movie show what happened with 800 frames in 2ns.

NOTE: The data size of a result is about 110MB so it will take some time and memory to load a result.
If your browser or computer can't load such the file, you can view the mp4 video that we made for you.

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.


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PFOA PFOS Fluoroacetic Acid
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The molecules displayed are the activity site of fac-dex(Aspartic acid(Asp) and Histidine(His)) and the targets(fluoroacetic acid, PFOA, PFOS).

The animation show 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.