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AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
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PostPosted: Mon Jun 01, 2015 7:41 am 
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Micromolar User
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Joined: Mon Feb 27, 2012 9:36 am
Posts: 27
Hello,

Does AutoDock Vina calculate binding energy (meaning intermolecular interaction energy) or binding FREE energy like MMPBSA binding free energy?

Please help. A number of your papers mention binding free energy.

Thanks for clarifications.


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