The Need for Reproducibility of Enzyme Reaction Data

Co-organized by

 

November 14, 2024

Lodz University of Technology

Senate Hall, Alchemium, Faculty of Chemistry

Lodz, Poland

 

Scientific Organization:

Roland Wohlgemuth / Lodz University of Technology

Carsten Kettner / Beilstein-Institut

 

The Symposium

Overview

The Beilstein Symposia address contemporary issues in chemistry and neighboring sciences by emphasizing interdisciplinarity. Scientists from a wide range of areas – often outside chemistry – are invited to present (provoking) aspects of their work for “out of the box” discussion with the aim not only to advance science, but also to enhance interdisciplinary communication.

The European Society of Applied Biocatalysis (ESAB) takes initiatives in areas of growing scientific and industrial interest and importance in the field of applied biocatalysis and identifies key topics which may be rate-limiting in the development of scientific progress and technological prospects in applied biocatalysis and takes steps to stimulate these areas.

Many years ago, the organizers of this symosium stated  that "the flood of information generated as a result of research in genomics and proteomics is often completely overwhelming", which makes it inherently difficult to use this information for analysis, confirmation, interpretation, and even to understand the experimental results and to distinguish between real findings and assumptions.

 


As much of the experimental data is reused for model development, e.g., in systems and structural biology and in drug discovery and targeting, there is a requirement to ensure accuracy and contextual quality of this data. Contextual data is data that describes the experimental data with unambiguous attributes and is now called metadata.

This symposium provides insight into gaps and pitfalls of the current reporting procedure and addresses the requirements to make published enzyme data reusable or even reproducible by a variety of community-driven efforts.

 

Liability

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.

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Registration

As the number of participants is limited to the size of the Senate Hall, registration is required. The registration fee is 40 EUR and includes admission to the symposium's room, lunch and coffee breaks.

If you have to cancel, please note, that registrations may be transferred to another member of your organization at any time.

Registration deadline: November 8, 2024.

Please register via the websites of the European Society of Applied Biocatalysis (ESAB).

Scientific Program

9:00
Opening of the Symposium
Words of Welcome
Prof. Krzysztof Jóźwik, DSc, PhD, MSc, (Rector Lodz University of Technology)
Carsten Kettner (Beilstein-Institut)
Roland Wohlgemuth (Lodz Technical University)

Session Chair: Roland Wohlgemuth

9:20
The Need and Means for Standards in Enzymology
Carsten Kettner, Beilstein-Institut, Frankfurt/Main, Germany

9:50
The EnzymeML Framework: Improving Efficiency and Quality of Biocatalytic Science
Jürgen Pleiss, University of Stuttgart, Germany

10:20
Improving CAZyme Activity Descriptions
Bernard Henrissat, Technical University of Denmark, Kgs. Lyngby, Denmark

10:50
Coffee break

11:20
ExplorEnz -  a System for the Classification of Enzyme Reactions
Andrew Mcdonald; Trinity College, Dublin, Ireland

11:50
A new Thermodynamics: This Time for Biology
Hans Westerhoff, The University of Amsterdam; The Netherlands

12:20
Research Data Management Activities in FAIRDOM and ELIXIR
Ulrike Wittig, Heidelberg Institute of Theoretical Sciences, Germany

13:00
Lunch

Session chair: Carsten Kettner

14:00
Enzyme Annotation in UniProtKB with Rhea and ChEBI
Alan Bridge, Swiss Institute of Bioinformatics, Geneva, Switzerland

14:30
Some Neglected Implications of Enzyme Kinetics for Applied Biocatalysis
Peter Halling, University of Strathclyde, Glasgow, UK

15:00
Enzyme Kinetics Meeting Modelling - Understanding Mechanisms and Predicting Enzyme Activity
Maciej Szaleniec, Polish Academy of Sciences, Krakow, Poland

15:30
Coffee break

16:00
Chemo-enzymatic Synthesis of Capsular Polysaccharides from the Human Pathogen Campylobacter jejuni
Frank Raushel, Texas A&M University, College Station, TX; USA

16:30
Chemo-enzymatic Stereoselective Cascade Reactions
Ryszard Ostaszewsk, Polish Acamdey of Sciences, Warsaw, Poland

17:00
Closing Remarks
Roland Wohlgemuth, Carsten Kettner

17:10
End of Symposium