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5th Workshop

Co-organized by

 

September 24–26, 2024

Hotel Jagdschloss Niederwald
Rüdesheim (Rhein)
Germany

The 5th EnzymeML Workshop will take place as an in-person meeting (with hybrid elements optional) in Rüdesheim.

 

Scientific Organization:

Jürgen Pleiss / Excellence Cluster SimTech, University of Stuttgart, Germany

Carsten Kettner / Beilstein-Institut

Santiago Schnell / University of Notre Dame, IN, USA

 

Stay tuned #EnzymeML2024

 

Scientific Program


Tuesday, Sept. 24


EnzymeML Training Course

⇒ see also the Instructions below


9:00
Welcome and Overview on EnzymeML Activities
Jürgen Pleiss, University of Stuttgart, Germany

Session 1: Status and Application of the EnzymeML Platform

9:30
Demonstration of EnzymeML Tools
Jan Range, Max Häussler, Torsten Giess, University of Stuttgart, Germany

12:30
Lunch

Session 2: Hands-on: Managing your own Data

14:00
Read in, Analyze and Publish your own Datasets
Jan Range, Max Häussler, Torsten Giess & all participants:
read in, analyze and publish your own datasets

17:00
Close

17:15
Excursion

19.30
Dinner


Wednesday, Sept. 25


EnzymeML Workshop
Day 1

Session 3: Acquisition of Data and Metadata

9:00
LabNexus: an Open-source Enzyme Kinetics Data Automation Web application
Johann Rohwer, University of Stellenbosch, South Africa

9:45
Expanding the Enzyme 'Reactome' via High-throughput Experimentation - is Reproducibility an Issue?
Marilize Le Roes-Hill, Cape Peninsula University of Technology, Bellville, South Africa

10.30
Coffee break

11:00
Adaptation of an Electronic Laboratory Notebook (ELN) for the Functional Integration of Sequence-based Macromolecules
Nicole Jung, Karlsruhe Institute of Technology, Germany

11:45
Challenges and Solutions for Digital (un)structured Data in Biocatalysis
Katrin Rosenthal, Constructor University, Bremen, Germany

12:30
Lunch

Session 4: Data Analysis, Modelling, Optimiatzion and Design of Experiments

14:00
Modelling Approach in the Biocatalytic Process Optimization and Design
Zvjezdana Findrik, University of Zagreb, Croatia

14:45
Biocatalysis in Multiphase Reactors
Andreas Bommarius, Georgia Institute of Technology, Atlanta, USA

15:30
Coffee break

16:00
When Cascades Turn into Cycles - From Cofactor Supply to Regeneration
Jenny Andexer, University of Freiburg, Germany

16:45
Optimal Experimental Design in Biocatalysis - from Gaussian Processes Towards Bayesian Statistics
Sebastian Höpfl, University of Stuttgart, Germany

17:30
Close

19:30
Dinner


Thursday, Sept. 26


EnzymeML Workshop – Day 2

Session 5: Infrastructure: What Comes Next

9:00
High-throughput Screening Data on Enzyme Activity: a First Proposal for User-friendly Data Integration into EnzymeML Workflow
Carine Vergne-Vaxelaire, CEA Genoscope, Évry, France

9:45
Future-proofing Software Infrastructure: Enhancing EnzymeML with WebAssembly
Frank Bergmann, University of Heidelberg, Germany

10:30
Coffee break

11:00
Using EnzymeML to Exchange and Publish Reaction Kinetics Data in SABIO-RK
Ulrike Wittig, Heidelberg Institute for Theoretical Studies, Germany

11:45
Extending STRENDA DB Light
Carsten Kettner, Beilstein-Institut

12:30
Lunch

Session 6: Outlook and Planning

14:00
Round Robin Study on Measuring Enzyme Reactions
Santiago Schnell, University of Notre Dame, USA

14:30
Critical Assessment of Enzyme Design
Mehdi Davari,  Leibniz Institute for Plant Biochemistry, Halle, Germany

15:00
Final Remarks
Jürgen Pleiss

15:30
Close

19:30
Dinner