Date/Time
13.11.2025
2:00 pm – 3:00 pm
Location
Lecture Hall 55.02
Pfaffenwaldring 55
70569 Stuttgart
We are very happy to welcome within the CRC 1333 Colloquium Series:
Thursday, 13 November , 2025, 2:00-3:00 pm
Stellenbosch University, South Africa
Topic: “Kinetic modelling and parametrisation of cascade reactions with NMRPy and PySCeS.”
His main research interests are:
- The application of in vivo, in situ and in vitro NMR spectroscopy for direct, non-invasive real-time determination of metabolite levels in microbial cells.
- Building and extending kinetic models of various cellular systems.
- Modelling cellular redoxin networks.
- Modelling glucocorticoid receptor (GR) dimerisation and signalling.
- The development of software tools for computational systems biology within the framework of Python and SciPy.
Abstract:
After a couple of decades of relative dormancy there has been renewed interest in the field of enzyme kinetics during the past 20 years. One reason is the rise of the field of biocatalysis, which employs the use of natural or engineered enzymes to synthesise novel products or provide improved synthetic routes for existing products. The modelling of these processes requires kinetic information. A second reason is the successful application of kinetic modelling in related fields such as non-enzymatic homogeneous and heterogeneous catalysis or systems biology. The quantification of reaction time-courses provides useful information for determining kinetic parameters. NMR spectroscopy is well-suited for experimental quantification of such time-courses because of its direct on-line non-invasive nature, not requiring reaction quenching or derivatisation before analysis. In this talk I present two Python-based tools developed in our group to assist with such time-course analyses. First, NMRPy is a Python module that facilitates large-scale processing, analysis and quantification of time-series of NMR spectra. Second, PySCeS is a Python module for kinetic modelling and simulation of cellular pathways. The application of these tools will be discussed in the context of kinetic analysis of two reactions: the enzyme-catalysed phosphoglycerate mutase-enolase reaction cascade and a palladium hydride-catalysed cycloisomerisation reaction.
The CRC cordially invites all who are interested to the lecture.