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AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
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 Post subject: problematic protein 4ffw
PostPosted: Sun Jul 26, 2015 4:48 pm 
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Millimolar User
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Joined: Sun Jul 26, 2015 3:51 pm
Posts: 2
4ffw is antidiabetic target. Whereas Autodock gave good results, Vina docked the X-ray ligand itself in completely inverted way. Is there any solution? Tried putting exhaustiveness to 64 but still same thing- docked conformation is inverted to X-ray conformation.


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