Re: Re: Predicting the binding affinity and anion

From: Axel Kohlmeyer (
Date: Wed Nov 23 2011 - 07:37:19 CST

On Wed, Nov 23, 2011 at 8:23 AM, bharat gupta <> wrote:
> Hi,
> I have a designed some phosphate binding sites on my protein of interest . I
> want to quantify the binding affinity between the phosphate ion and my
> protein. I did some initial docking studies by focusing the grid on that
> region where the phosphate should bind. Now I want to make the prediction
> more stronger using simulation or some other kind of method . I want to know
> that how the binding affinity be calculated for interaction between a
> phosphate ion and a protein ?? Pls help in this regard..

have you searched the published literature to see what others
have done to quantify binding affinities? that should be the natural
first choice to look for answers.


> --
> Bharat

Dr. Axel Kohlmeyer
College of Science and Technology
Temple University, Philadelphia PA, USA.

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