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AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
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PostPosted: Sat Oct 24, 2015 11:25 pm 
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Joined: Mon Oct 05, 2015 4:12 pm
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Hello, I am new to docking using vina. I have used autodock before to dock a ligand to a protein where the crystal structure already exists. While autodock docking closely matches the crystal structure, vina places the ligand outside the grid box which is chosen to surround the binding site. Please help


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