EnzymeML logo

5th Workshop

Co-organized by

(Pan-European Network on Computational Redesign of Enzymes)

September 24–26, 2024

Hotel Jagdschloss Niederwald
Rüdesheim (Rhein)

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


General Information

The workshop will take place in person at the Hotel Jagdschloss Niederwald in Rüdesheim (Rhein)
from 24 to 26 September, 2024
with the 23rd and the 27th 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 23rd there will be a get-together-dinner at 7.30 pm.

The scientific program will take place over three days and will start at 9.00 a.m. on Tuesday, the 24th, and end in the late afternoon on Thursday, the 26th.

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 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.


Registered participants are requested to make their bookings before 1 July, 2024. 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: 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 the dinner on the 23rd until the dinner on the 26th.
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. 24

EnzymeML Training Course

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

Session 1: Status and Application of the EnzymeML Platform

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


Session 2: Hands-on: Managing your own Data

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




Wednesday, Sept. 25

EnzymeML Workshop
Day 1

Session 3: Data Acquisition

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

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

Coffee break

Nicole Jung, Karlsruhe Institute of Technology, Germany

Katrin Rosenthal, Constructor University, Bremen, Germany


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

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

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

Coffee break

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

Frank Bergmann, Heidelberg University, Germany



Thursday, Sept. 26

EnzymeML Workshop – Day 2

Session 5: Infrastructure: What Comes Next

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

Jenny Andexer, University of Freiburg, Germany

Coffee break

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

Extending STRENDA DB Light
Carsten Kettner, Beilstein-Institut


Session 6: Outlook and Planning

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

Mehdi Davari,  Leibniz Institute for Plant Biochemistry, Halle, Germany

Final Remarks
Jürgen Pleiss



Jagdschloss Niederwald Rüdesheim


The workshop, 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 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.

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.