Programme

Wednesday, 24 April 2024

8:00 Transfer from Jülich
8:30 Registration
9:00 Welcome Address by Dr. Robert Speck, Jülich Supercomputing Centre
Chair: Alexander Schug
I. Large Biomolecular Simulation
9:10 Helmut Grubmüller, MPI für Multidisziplinäre Naturwissenschaften
Microtubules’ bends, cryo-cool ribosomes, and wet proteins
9:50 Joanna Sulkowska, University of Warsaw
Understanding the mysteries of non-trivial topology in proteins and RNA based on Deep Learning approach and structural biology methods
10:30 Coffee
II. Integrative Molecular Biology
11:10 Simon Ebbinghaus, Ruhr-Universität Bochum
RNA and protein folding stability in cells and condensates
11:50 Ulrike Rehbein, Universität Duisburg-Essen
Stress granule proteins as integrators of metabolic signals at the lysosomes
12:30 Lunch
Chair: Paolo Carloni
14:00 Gerhard Hummer, MPI für Biophysik
Simulations of large pores
14:40 Jochen Hub, Universität des Saarlandes
Hydration shell of proteins from molecular simulations and  high-precision small-angle scattering data: effects of surface chemistry, temperature, and force fields
15:20 Birgit Strodel, Forschungszentrum Jülich
Journey through Amyloid Protein Structures: Mapping Conformational Changes from Disorder to Aggregation with MD Simulations
16:00 Coffee
16:40 Michael Sattler, Technical University of Munich and Helmholtz Munich
NMR and integrative structural biology to study dynamic molecular interactions - from molecular chaperones to splicing regulation
17:20 Ben Schuler, Universität Zürich
Probing the dynamics and interactions of disordered proteins with single-molecule spectroscopy: From disordered complexes to phase separation
18:00 Poster Session (odd) and Reception
20:15 Transfer to Jülich

Thursday, 25 April 2024

8:45 Transfer from Jülich
Chair: Giulia Rossetti
9:10 Richard Börner, Hochschule Mittweida
FRET-guided integrative modelling of non-coding ribonucleic acids
9:50 Michael Kovermann, Universität Konstanz
Combining NMR spectroscopy with MD simulations to determine the conformational landscape of multi-domain proteins at atomic resolution
10:30 Coffee
III. Biomolecular Evolution and AI
11:10 Fabrizio Pucci, Université libre de Bruxelles
Combining structural and coevolutionary information for protein design applications
11:50 Olga Kalinina, Helmholtz-Institut für Pharmazeutische Forschung Saarland
Predicting functional effect of genetic variants and some issues with data leakage in biomedical research
12:30 Group Picture
12:45 Lunch
Chair: Birgit Strodel
14:00 Faruck Morcos, The University of Texas at Dallas
Epistatic models and Latent Generative Landscapes of sequence space as roadmaps for protein functional diversity, evolution, and design
14:40 Marialore Sulpizi, Ruhr-Universität Bochum
Exploring nucleotides complexes in solutions from spectroscopy and ab initio simulations
15:20 José Onuchic, Rice University
The three-dimensional architecture of the human genome: understanding the physical mechanisms controlling gene expression
16:00 Coffee
16:40 Ines Heiland, The Arctic University of Norway
Learning from evolution – from comparative genomics to physiology
17:20 Martin Weigt, Sorbonne Université
Protein evolution in sequence landscapes - from data to models and back
18:00 Poster Session (even) and Reception
20:15 Transfer to Jülich

Friday, 26 April 2024

8:45 Transfer from Jülich
Chair: Irene Vercellino
VI. Protein Folding and Kinetics
9:10 Rebecca Wade, Heidelberger Institut für Theoretische Studien
Towards predicting the effects of protein mutations on binding kinetics
9:50 Coffee / Guided Tour Jülich Supercomputing Centre
10:50 Volkhard Helms, Universität des Saarlandes
Role of accessory membrane proteins in protein translocation across the Sec61 channel
11:30 Elsa Sanchez-Garcia, Technische Universität Dortmund
From biomolecular simulations of nanostructures and function inhibition to machine learning tools for protein engineering
12:10 Alexander Schug, Forschungszentrum Jülich
Final Remarks and Poster Awards
12:30 Lunch
14:00 Transfer to Düren Train Station
Last Modified: 31.01.2025