Tuesday, Sept. 26

 

9:00
Opening and Welcome
Jürgen Pleiss and Carsten Kettner

 

Session 1: Project Status
Session chair: Carsten Kettner

9:15
Overview of the Project Status
Jürgen Pleiss (University of Stuttgart)

10:00
Software-driven RDM: Connecting Databases and Applications
Jan Range (University of Stuttgart)

10:45
Coffee break

11:15
High-throughput Experimentation and Analysis: Using the Bacterial Small Laccase (SLAC) as a Case Study
Marilize Le Roes-Hill (Cape Peninsula University of Technology, Belville)

12:00
STRENDA DB light
Carsten Kettner (Beilstein-Institut)

End of session 1

12:45
Lunch

Session 2: Best practices in Experimentation and Modelling
Session chair: Jürgen Pleiss

14:00
Enzyme Reaction Kinetic Model Redesign with EnzymeML-related Tools: From Bayes and Sensitivity Analysis to MC Model Selection and Neural ODEs
Andreas Bommarius (Georgia Institute of Technology, Atlanta)

14:45
Integrating Experiments and Modelling: Challanges and Opportunities
Katrin Rosenthal (Constructor University, Bremen)

15:30
Coffee break

16:00
Discovery by Cell-free Protein Synthesis and Biochemical Characterization of Thermostable Glycerol Oxidases
Lars Santema (University of Groningen)

16:45
Kinetic Approach for Dehydration of Aldoxime Using Aldoxime Dehydratase as Biocatalyst
Jianing Yang (University of Bielefeld)

17:30
Kinetic Analysis of Enzymatic Cascades with NMR Spectroscopy
Johann Rohwer (University of Stellenbosch)

18:15
End of Session 2

19:30
Dinner

 

 

 

Wednesday, Sept. 27

 

Session 3: Extending the Network
Session chair: Carsten Kettner

9:00
High-throuput Enzyme Screening and Development of Accessible Computer Programs for Automated Results Processing: Towards Standardization Using EnzymeML
Egon Heuson (Centrale Lille)

9:45
Integration of EnzymeML with Reactor Simulation
Alexander Behr (TU Dortmund)

10:30
Coffee break

11:00
A2CA Tool - Amino Acid Cluster Analysis: A Computational Approach to Support Enzyme Mining and Engineering Showcased for Flavoprotein Oxidases
Dirk Tischler (Ruhr-Universität Bochum)

11:45
Extending STRENDA towards Biocatalysis
Dörte Rother

End of session 3

12:40
Lunch

 

Session 4: New Concepts
Session chair: Jürgen Pleiss

14:00
RetroBioCat - a Synthesis Planning Platform and Biocatalysis Database
William Finnigan (University of Manchester)

14:45
Model-based Desgin of Experiments
Nicole Radde

15:30
ML for Discovering and Leveraging Structures in Physical Systems
Mathias Niepert (University of Stuttgart)

End of session 4

16:15
Coffee break

16:45
Final Discussion and Outlook
Santiago Schnell, Carsten Kettner, Jürgen Pleiss
Round robin study, next steps in EnzymeML

18:00
Close

19:30
Dinner