[AMBER] Question regarding the calculation of binding constants

From: Kornelius Zeth <kornelius.zeth.gmail.com>
Date: Tue, 17 Feb 2015 16:17:06 +0100

Dear all -

I have a short question regarding AMBER or any equivalent program: Does the
program allow to calculate the free energy of ion binding (e.g. iron, zinc,
manganese) to specific binding sites on protein surfaces and if so would it
be possible to distinguish energies of e.g. Fe(II) and Fe(III) binding
events??

Thanks a lot for your comments and best wishes

Kornelius 

-- 
*Kornelius Zeth*
*Ikerbasque Research Professor*
*University of the Basque Country*
*48940, Leioa, Vizcaya*
*SPAIN*
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Received on Tue Feb 17 2015 - 07:30:07 PST
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