Freeware program DYNAFIT update

Petr Kuzmic pkuzmic at biokin.com
Tue Jul 8 14:48:18 EST 1997


This is a message to all users of program DYNAFIT 
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DynaFit executable files (PowerMac, DOSbox under Win31,Win95,WinNT)
were updated to version 2.16[f].  Improvements were made in the 
module for automatic determination of confidence intervals for
rate constants.

An example problem was added, based on experimental data published
in [1]. This paper contains 97 differential and algebraic equations
and three mathematical appendices that describe the kinetics of 
competitive binding in the system thrombin-dehydrothrombin-hirudin.
Nevertheless, this complicated formal treatment is based on several
simplifying assumptions; the fitting parameters are composite or 
derived kinetic constants.

In contrast, in DYNAFIT [2] the kinetic problem is formulated simply
by using the following text:

   [mechanism]

      E + L <===> EL  :  k1   k2
      F + L <===> FL  :  k3   k4

where E is thrombin, F is chemically modified thrombin, and L
is hirudin.  The analysis is completely general, not resting on
any assumptions except the mass action law.  The adjustable 
parameters in the fitting model are microscopic rate constants
k1-k4, not composite or derived kinetic constants.

The executable files and the expanded test files can be 
downloaded from http://www.biokin.com/dynafit/files/.

References:

[1]   Wedemeyer W.J., Ashton R.W., and Scheraga H.A. (1997) 
      "KINETICS OF COMPETITIVE BINDING WITH APPLICATION TO 
      THROMBIN COMPLEXES" Anal. Biochem. 248, 130-140. 

[2]   Kuzmic, P. (1996) "PROGRAM DYNAFIT FOR THE ANALYSIS OF
      BIOCHEMICAL DATA: APPLICATION TO HIV PROTEASE" Anal. 
      Biochem. 237, 260-273.

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pkuzmic at biokin.com  |  http://www.biokin.com  |  fax 608.256.1269

-------------------------------------------------------
Petr Kuzmic, Ph.D.  *  http://www.biokin.com
B i o K i n,  Ltd.  *  P.O. Box 8336 * Madison WI 53708
voice 608.256.4790  *  fax 608.256.1269




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