[AMBER] effect of born radii on the binding energies of a protein-ligand system

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From: Manikanthan Bhavaraju <manikanthanbhavaraju.gmail.com>
Date: Fri, 24 Jan 2014 14:58:06 -0600

Dear Amber developers,

Over the years Amber has developed various methods to accurately calculate
born radii and has introduced terms such as igb = 1, 5, 7 etc. How does
a particular choice of the born radii i.e. igb =1 or 5 or 7 effects the
protein-ligand binding energies calculated using MM-GBSA method? Is there
any published data on this issue? If so, please let me know about it.

Thanks,
mani
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Received on Fri Jan 24 2014 - 13:00:02 PST