Re: [AMBER] Query about MM-PBSA free energy calculation for multiple ligand binding

From: Vaibhav Dixit <vaibhavadixit.gmail.com>
Date: Wed, 20 Nov 2013 03:20:05 +0530

Hi,
A quick search for "free energy of cooperative binding sites mmpbsa" gave
the following articles which suggest that such studies have been performed.
A list of citing article might take you to more examples.

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC516060/

http://pubs.acs.org/doi/abs/10.1021/ja1114198

http://scholar.google.co.uk/scholar?newwindow=1&rlz=1C1RNCN_enIN336IN339&espv=210&es_sm=122&um=1&ie=UTF-8&lr=&cites=5550460017051127446

I hope this help to some extend.
Good luck. :)


On Mon, Nov 18, 2013 at 6:19 PM, Jason Swails <jason.swails.gmail.com>wrote:

> On Mon, 2013-11-18 at 16:34 +0530, Vaibhav Jain wrote:
> > Hi Jason,
> >
> > Thanks for the reply. Do you have any idea about the literature, where
> they
> > have performed MM-PBSA biding free energy calculations for the 1:n
> > stoichiometry of macromolecule and ligand. Please provide link of the
> > articles if possible.
>
> I do not have any relevant citations handy, and I don't know of any
> studies that did this type of thing. That certainly doesn't mean it's
> never been done before, though.
>
> Good luck,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
>
>
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> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
With Regards.
Dr. Vaibhav A. Dixit,
Postdoctoral Research Scientist,
Etherow F40/6,
AstraZeneca,
Charter Way,
Silk Road Business Park,
Macclesfield,
Cheshire,
England,
SK10 2NX
Ext. No. 20278
Email: Vaibhav.Dixit.astrazeneca.com
Moblie Number: +44 (0) 7448233157
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Received on Tue Nov 19 2013 - 14:00:02 PST
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