Tyler Collins wrote:
> I am attempting to use our ITC MCS Unit from MicroCal to quantify the
> homodimer dissociation of a dimeric protein to monomer. Unfortunately,
> homodimeric species are difficult to analyze using the old Origin software.
> In addition, MicroCal will not provide a free upgrade in software to
> accommodate the models you want to use. Instead, they are charging $2500
> for software that includes a dimer dissociation model that would be useful
> to my work. Does anyone know where to get a possible bootleg version of the
> software, or do you have suggestions, books, articles that may aid in
> helping me write my own macro?
You can use any curve-fitting software you like, but you have to define
a suitable mathematical model for the fit. Curve fitting is for example
covered in
@book{Pre-89,
AUTHOR= {W.H. Press and B.P. Flannery and S.A. Teukolsky and
W.T. Vetterling},
TITLE= {Numerical recipes in {P}ascal: The art of scientific
computing},
YEAR= {1989},
PUBLISHER= {Cambridge University Press},
ADDRESS= {Cambridge},
LANGUAGE= {engl}
}
or similar books on numerical mathematics. A good implementation of the
Simplex-algorithm can be found in
@article{Cac-85
AUTHOR= {M.S. Caceci and W.P. Cacheris},
TITLE= {Fitting Curves to Data},
JOURNAL= {Byte},
YEAR= {1984},
Issue= {5},
PAGES= {340-362},
LANGUAGE={engl}
}
The advantage of Simplex over Marquard-Levenberg is that you can also
fit data to a system of differential (rate-) equations, using numerical
integration (Runge-Kutta-algorithm):
@article{Hei-92,
AUTHOR= {G. Heinzel},
TITLE= {Beliebig genau: {M}oderne {R}unge-{K}utta {V}erfahren
zur {L}ösung von {D}ifferentialgleichungen},
YEAR= {1992},
JOURNAL= {c't},
PAGES= {172-185},
VOLUME= {8},
NUMBER= {8},
MONTH= {Aug},
LANGUAGE= {dt}
}
Hence it is not necessary to analytically integrate the system first,
which can be challenging.
