Hi, Catherine,
I have used MM/PBSA with a similar system and obtained a similarly huge
binding free energy. However, I was interested in how mutations affected the
binding free energy, the "delta-delta-G". This ddG is what's
"quantitatively" correct, not, usually, the dG as I believe you have
reported below.
HTH,
kevin
On Wed, Dec 29, 2010 at 10:26 AM, Catein Catherine
<askamber23.hotmail.com>wrote:
>
> Dear Sir/Madam,
>
> Any one reported MM/GBSA or MM/PBSA of a binding energy between DNA and
> Protein could be as large as -400 kcal/mol?
>
> Best regards,
>
> Catherine.
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>
--
-- - -
HK
-------------------------------------------------------
Kevin Eduard Hauser
National Science Foundation,
LSAMP Bridge to the Doctorate Fellow
The Department of Chemistry
Stony Brook University
Stony Brook, New York 11794
Phone: (561) 635.1848
Email: 84hauser.gmail.com
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Received on Wed Dec 29 2010 - 08:30:02 PST
