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October 18-19, 2022
The 3rd EnzymeML Workshop took place as an hybrid event at the Hotel Jagdschloss Niederwald in Rüdesheim (Rhein), Germany on October 18 & 19, 2022 and was organized by Prof. Jürgen Pleiss (Excellence Cluster SimTech, University of Stuttgart) and Dr. Carsten Kettner (Beilstein-Institut).
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
10:00
Software-driven RDM: A framework for modular, accessible and flexible data management
Jan Range
10:45
Coffee break
11:05
The effect of agitation and aeration on enzyme stability
Amalie Vang Høst
11:50
BioCatHub: Research data management and digitalisation in biocatalysis
Stephan Malzacher
12:35
Lunch
Session 2: Best practices in experimentation - documentation of measured data and their analysis
Session chair: Dörte Rother
14:00
Insights into peroxygenase catalysis with EnzymeML
Thomas Hilberath
14:45
Challenges in enzyme kinetics with microtiter plates
Max Häußler
15:30
Coffee break
15:50
The need for reproducibility in enzyme catalysis
Marilize Le Roes-Hill
16:35
Data-driven development of multi-enzyme cascades
Katrin Rosenthal
17:20
Bayesian modelling of enzymatic processes and model-based design of experiments
Nicole Radde
18:10
Close and walk in the woods
19:30
Dinner
Session 3: Best practices in modelling and experimental design
Session chair: Katrin Rosenthal
9:00
Opening
9:05
Using COPASI for modeling and model identification
Frank Bergmann
9:50
New frontiers for EnzymeML: automation and experimental design
Johann Rohwer
10:35
Coffee break
10:55
The importance of detailed kinetics for beta-lactam antibiotics synthesis
Andreas Bommarius
11:40
Challenges and strategies (round robin study)
Santiago Schnell
12:30
Lunch
Session 4: Extending towards biocatalysis and (bio)chemical engineering
Session chair: Jürgen Pleiss
14:00
Defining attributes in biocatalysis: the STRENDA biocatalysis activities
Dörte Rother
14:45
Whole cell processes
Dirk Holtmann
15:30
Data needs for assessing process implementation and scale-up
John Woodley
16:15
Coffee break
16:40
Final discussion and outlook
Round robin study, next steps in EnzymeML
18:00
Close
19:00
Dinner