Computational Tools for Analysis and Optimisation of Enzyme Kinetics

In order to obtain optimal results for an asymmetric catalytic transformation in terms of enantiomeric excess and yield, understanding of the underlying kinetics is an indespensable prerequisite. Our computational tool provides a simple aid for analysis and optimization of the kinetic resolution of racemates ('Selectivity'); application for more complex processes are currently under development. For details and further references please see the corresponding help-file. Suggestions are highly welcome.

Kurt Faber
Wolfgang Kroutil
Gerhard Thallinger

This program is published without any warranty of fitness for a particular purpose. Commercial exploitation is not permitted.
© Department of Chemistry, University of Graz & Institute of Genomics and Bioinformatics, TU Graz.