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|Magnesium as an active site for docking using Vina
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|Author:||disraelicav [ Sun Jun 26, 2016 6:14 pm ]|
|Post subject:||Magnesium as an active site for docking using Vina|
I would like to know more about the calculations for docking with a Mg ion in a protein, using the software AutoDock Vina. The fact is that there is no a conclusive information about it in the literature.
Is Vina really an appropriate docking software for accounting the interactions between a carboxylate group in a ligand and a divalent ion (Mg) in the active site of a protein?
I hope your useful answers.
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