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6th Workshop

Co-organized by

 

September 29 – October 2, 2025

Hotel Jagdschloss Niederwald
Rüdesheim (Rhein)
Germany

The 6th 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 #EnzymeML2025

 

General Information

The workshop will take place in person at the Hotel Jagdschloss Niederwald in Rüdesheim (Rhein)
from September 29 to October 2, 2025
with the 29th and the 2nd for traveling.

For the hands-on session, please refer to the information to be downloaded below.

On the 29th, the workshop will be officially opened after lunch at 13:30.

The scientific program will take place over two full days and two half days and will end on Thursday, October 2 before lunch. Lunch is included in the conference package, and participants may leave after lunch.

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 or can be downloaded (see below).

When you register for the workshop, you declare your consent with our Privacy Policy and our Terms and Conditions which is available here.

Housing

Registered participants are requested to make their bookings before 1 July, 2025. Please note that there is only a limited number of rooms in our allocation. Accommodation costs must be settled directly with the hotel by the participants and can be reimbursed together with your travel expenses through COZYME.

You can contact the hotel either by telephone (++49-(0)6722-71060) or by email (jagdschloss@niederwald.de). Please do not book your room via booking platforms or via the booking service of the Hotel Jagdschloss Niederwald as these booking requests do not consider our allocation and will report back that no rooms will be available at these times.

Please use the following booking code: Beilstein-EnzymeML.

For registered participants, the Beilstein-Institut will cover the conference package which includes all meals, coffee breaks and the admission to the conference room from lunch on the 29th until lunch on the 2nd.
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

Monday, September 29


Travel and arrival of the participants

12:00
Lunch

13:30
Welcome and Overview on EnzymeML Activities
Jürgen Pleiss

14:00
Hands-on Session #1

Data Acquisition by the EnzymeML Suite
Jan Range, Max Häussler and Sascha Gabriel

17:00
Close

17:15
Excursion

19:30
Dinner

Tuesday, September 30


9:00
Hands-on session #2

Kinetic Modelling of Enzyme Catalyzed Reactions
Jan Range, Max Häussler, Sascha Gabriel

12:30
Lunch

Session 3: Scenarios from the Task Forces

14:00
Automated Per-processing of HPLC Data with Chromatopy for the Optimization of a Multi-enzyme Cascade
Jan Niklas (Constructor University, Bremen)

14:30
Scenarios and Latest Developments in Utilizing the EnzymeML Suite
Lars-Hendrik Koeppl (University of Freiburg)

15:00
Coffee break

15:30
AI-assisted Data Management and Analysis of HT Screening Data:
Use cases with Amine Dehydrogenase Activity and Strain Screenings

Carine Vergne-Vaxelaire (Genoscope, Evry)

16:00
Close

16:30
Group meetings of task forces and working groups

19:30
Dinner


Wednesday, October 1


Session 4: Challenges in Biocatalysis #1

9:00
Data management in Bioeconomy
- a Complex Task

Dörte Rother (RWTH Aachen)

9:40
Machine-learning Guided
Protein Engineering

Mehmet Mervan Çakar (DTU, Lyngby)

10:00
HPLC Data Processing as a Gateway
to Bayesian Optimization of Enzymes
Nils Weindorf (University of Bochum)

10:20
Linking DEXPI and EnzymeML
Niklas-Maximilian Epping
(TU Hamburg-Harburg)

10:40
Coffee break and Workshop photo

11:20
Natural Deep Eutectic Solvents (NaDES):
a Green Platform for Enzymatic Catalysis
Kiran Hidayat (University of Hannover)

11:40
FAIRVibSpec for Re-analyzable
IR/Raman Experiments

Torsten Giess (University of Stuttgart)

12:00
Roundtripping EnzymeML
between Va and V2

Frank Bergmann (University of Heidelberg)

12:20
Close

12:30
Lunch


Wednesday (ctd.)


Session 5: Challenges in Biocatalysis #2

14:00
Future of Kinetic Modelling and Model-based Design of Experiments in Biocatalysis
Andreas Bommarius (Georgia Institute of Technology, Atlanta)

14:40
Development of Mathematical Models for Use in Process Optimization
Martina Sudar (University of Zagreb)

15:00
Determination of the Enzyme Kinetics of Ester Hydrolysis by Candida antarctica Lipase B for Modelling Gradient Formation in Pilot-scale Reactors
Caroline Hamelmann (DTU, Lyngby)

15:20
FAIR Capturing, Analysis and Kinetic Modelling of NMR Time-course Data with NMRPy and EnzymeML
Johann Rohwer (University of Stellenbosch)

15:40
Coffee break

16:20
From Mechanistric Hypotheses to Empirical Models: Modeling Oxidase Deactivation in Bubble Columns
Amalie Vang Høst (KTH Stockholm)

16:40
From Data to Dynamics: Kinetic Modeling of Stopped-flow Experiments
Tobias Rapsch (University of Bochum)

17:00
Future Perspectives on Curationg and Exchanging Enzyme Kinetics Data with SABIO-RK and EnzymeML
Ulrike Wittig (Heidelberg Institute for Theoretical Studies)

17:20
Extension of STRENDA DB - a Proposal
Carsten Kettner

17:40
Close

19:30
Dinner


Thursday, October 2


Session 6: Working Groups and Future Planning

9:00
STRENDA Biocatalysis Guidelines
Katrin Rosenthal, Constructur University Bremen

9:45
From Biocatalysis to Bioeconomy - Future Needs
Dörte Rother (RWTH Aachen)

10:30
Coffee break

11:00
EnzymeML - Next Steps
Jürgen Pleiss

12:00
Close

12:30
Lunch

14:00
Departure

Jagdschloss Niederwald Rüdesheim

Accommodation

The workshop, lunches and dinners will take place at:

Hotel Jagdschloss Niederwald
Jagdschloss Niederwald 1
65385 Rüdesheim
Germany

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

jagdschloss@niederwald.de

How to Reach the Conference Site

Location

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 north 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.

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.