Re: [AMBER] Quantifying Hydrophobic interaction

From: case <case.biomaps.rutgers.edu>
Date: Tue, 24 Aug 2010 07:32:17 -0400

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 - 05:00:03 PDT
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