Re: [AMBER] Quantifying Hydrophobic interaction

From: aneesh cna <aneeshcna.gmail.com>
Date: Tue, 24 Aug 2010 09:23:53 -0400

Dear Prof. Case,

Thanks for your immediate reply. The organic molecule have two different
moiety - one moiety have electrostatic interaction with DNA and the other
one have hydrophobic interaction. I would like to quantify and compare these
two types of interaction to check which one dominate over the other?

Thanking you once again

Sincerely
Aneesh



On Tue, Aug 24, 2010 at 7:32 AM, case <case.biomaps.rutgers.edu> wrote:

> On Tue, Aug 24, 2010, aneesh cna wrote:
> >
> > My system contains DNA and an organic molecule. Is there any
> method
> > to quantify the hydrophobic interaction between DNA and organic
> molecule?
>
> There is generally a rough connection between burial of surface area and
> hydrophobic interactions. So, you could calcuate the amount of solvent
> exposed surface are of the organic molecule that is lost when it binds to
> DNA.
> But it would be hard to argue that this would "quantify" the interaction,
> since this is just a rough argument.
>
> Remember that there is no corresponding experiment that would give you such
> information (at least in any clean way).
>
> ....dac
>
>
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Received on Tue Aug 24 2010 - 06:30:03 PDT
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