Hello,
The two titration type functions that are in Analysis are for
protein-ligand in fast exchange where you vary the ligand concentration
but keep the protein concentration fixed, and a monomer-dimer in fast
exchange, where you vary the total concentration. The equations are
discussed in a PDF file obtainable at:
https://sites.google.com/site/ccpnwiki/Home/documentation/ccpnmr-analysis/FAQs/data-analysis
If you want to vary two concentrations then that complicates any attempt
at fitting (it looks like to me but someone out there probably knows
better).
The current Analysis does the fitting in C functions. Unfortunately that
turns out to be some of the worst C code in Analysis because stuff kept
getting bolted onto it, so I wouldn't recommend anyone try to adjust that
(although if you want to I can tell you what needs doing).
I've written a Pythonic version of the fitting but it has not been hooked
into the user interface. I will send you information about that in a
separate post, because it's likely to be the easiest way for you to add
your own functions, it's just that the visualisation is not there, so
would have to be done in (say) Excel. (You can also let us know what you
want added and I can add it into the C functions.)
Wayne
On Wed, 8 Feb 2012, Aldino wrote:
> Hi all,
> I have some questions regarding curve fitting on analysis:
>
> 1) is there any function on analysis to fit a concentration titration set in
> which you change both the ligand and the receptor concentrations?
>
> 2) is the Michaelis-Menten funtion defined?
>
> 3) where can I find information on the several funtions in avalysis?
>
> 4) can I write my own funtions?
>
>
> Cheers,
> Aldino Viegas
>
>
> ______________________________________________
> Aldino Viegas, PhD Student
> Dep. Química, REQUIMTE
> Faculdade de Ciências e Tecnologia
> Universidade Nova de Lisboa
> 2829-516 Caparica, Portugal
>
> Tlf. +351 212948300
> Ext. 10900 Lab. 106-A
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>
>
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