EnzymeML logo

4th Workshop

September 26 & 27, 2023

Hotel Jagdschloss Niederwald
Rüdesheim (Rhein)

The 4th 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


Follow us on Twitter: #EnzymeML2023

General Information

The workshop will take place in person at the Hotel Jagdschloss Niederwald in Rüdesheim (Rhein)
from 26 to 27 September, 2023 with the 25th and the 28th for traveling.

On request, we will provide online meeting features in addition that take advantage of the best that the two modalities offer.

In the evening of the 25th there will be a welcome reception followed by dinner.

The scientific program will take place over two days and will start at 9.00 a.m. on Tuesday, the 26th, and end in the late afternoon on Wednesday, the 27th.

The setting and the limited number of participants (ca. 30 persons) provide a very convivial atmosphere for the ready exchange of thoughts and ideas.

The language of the workshop is English.

The dress of the meeting is casual/informal.

Photographs may be taken during the meeting which subsequently may be published on the Beilstein-Institut website and in our social media channels.

All participants are requested to register with the registration form sent out by personal mail.

When you register for the in-person event, you declare your consent with our Privacy Policy which is available here.

Those who register for the online event declare their consent with both our Privacy Policy for video conferences and the Terms and Conditions of participation in our online events. These documents are available here.



For invited guests, the organizers will book the hotel room, and if requested the Beilstein-Institut will pay the full board rate at the hotel for the three nights (arrival September 25, departure September 28). Extras such as drinks, telephone calls etc. are excluded.


Declaration of Agreement - Data Protection

Due to data protection rules we are asking for your permission for storing and using your contact details as provided in your registration form for purposes defined in the form. Please complete, sign and return this form together with the registration form to the address given.

Scientific Program

Tuesday, Sept. 26


Opening and Welcome
Jürgen Pleiss and Carsten Kettner


Session 1: Project Status
Session chair: Carsten Kettner

Overview of the Project Status
Jürgen Pleiss (University of Stuttgart)

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

Coffee break

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)

Carsten Kettner (Beilstein-Institut)

End of session 1


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

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)

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

Coffee break

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

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

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

End of Session 2





Wednesday, Sept. 27


Session 3: Extending the Network
Session chair: Carsten Kettner

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

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

Coffee break

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

Extending STRENDA towards Biocatalysis
Dörte Rother

End of session 3



Session 4: New Concepts
Session chair: Jürgen Pleiss

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

Model-based Desgin of Experiments
Nicole Radde

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

End of session 4

Coffee break

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




Jagdschloss Niederwald Rüdesheim


The conference, lunches and dinners will take place at:

Hotel Jagdschloss Niederwald
Jagdschloss Niederwald 1
65385 Rüdesheim

T +49 (0)6722 - 7106 0
F +49 (0)6722 - 7106 666


How to Reach the Conference Site


The hotel is located on top of the Rheingau heights of Ruedesheim.

By plane to Frankfurt (Main), Cologne or Dusseldorf

Rüdesheim is located ca. 50 km west of Frankfurt airport which can be reached by almost all airlines from Europe and Overseas. Other airports close to Ruedesheim are Cologne and Dusseldorf.

From these airports, it is then possible to travel by train via Mainz and Wiesbaden to Ruedesheim.

Low-price airlines fly to Hahn airport from where bus connections to Koblenz, Mainz and Frankfurt are available.


By rail

Travel to Rüdesheim via Frankfurt central station (Frankfurt/Main Hbf) or to Mainz-Kastel (direction Wiesbaden) and take a taxi to the Jagdschloss Niederwald Hotel. At Frankfurt central station take the train VIA RB10 to Rüdesheim/Rhein (direction Neuwied). For Main-Kastel, take the S9 (direction Wiesbaden) and change to the train VIA RB10 to Rüdesheim/Rhein (direction Neuwied).

At Rüdesheim train station it is recommended to take a taxi as the Hotel Jagdschloss Niederwald is not located within the city of Rüdesheim but on top of the heights.


By car

Coming from Koblenz or Cologne. Take the autobahn A61, exit Bingen and take the ferryboat to Ruedesheim. Alternatively, take autobahn A61, change at "Dreieck Nahetal" to the A60 and drive in the direction "Mainz".
Change at "Dreieck Mainz" to the A643, in the direction "Wiesbaden, Frankfurt", cross the river Rhine and change at "Autobahnkreuz Schierstein" to the A66/B42, in the direction Ruedesheim.

Coming from Frankfurt airport. Take the autobahn A3 and drive in the direction Cologne. Change at "Wiesbadener Kreuz" to the A66, in the direction Wiesbaden.

The autobahn A66 becomes the B42 and leads you directly to Ruedesheim.
Use the following details for your car navigation system:
65385 Rüdesheim/Rhein, Tempelweg.

Note: Please make sure to not confuse Rüdesheim/Rhein with Rüdesheim (Nahe) near Bad Kreuznach.

See the hotel location on the map:

Liability and Insurance

The Beilstein-Institut will not be liable for any accident, theft or damage to property, nor for any delays or modification in the program due to unforeseen circumstances.

Participants and accompanying persons are advised to arrange for their personal travel and health insurance.