Re: Predicting the binding affinity and anion

From: bharat gupta (
Date: Wed Nov 23 2011 - 07:23:29 CST


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..


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