The Molecular Graphics Laboratory Forum
http://mgl.scripps.edu/forum/

Magnesium as an active site for docking using Vina
http://mgl.scripps.edu/forum/viewtopic.php?f=12&t=3252
Page 1 of 1

Author:  disraelicav [ Sun Jun 26, 2016 6:14 pm ]
Post subject:  Magnesium as an active site for docking using Vina

Dear all,

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.

Best regards,
Disraeli

Page 1 of 1 All times are UTC
Powered by phpBB® Forum Software © phpBB Group
https://www.phpbb.com/