I am Moritz Schäffler.
Postdoctoral researcher with the SDL Applied Machine Learning & AI Consultant team at the Jülich Supercomputing Center.
Research Interests
- Molecular Dynamics (MD) simulations and machine learning force fields
- Intrinsically disordered proteins and amyloid aggregation
- Energy landscapes of biological systems
- AI4Science: AI applications in biomolecular modeling
Curriculum Vitae
Bachelor of Science – University of Freiburg
Thesis: "Targeted Molecular Dynamics Simulations of the Unbinding of the S-peptide from RNaseS"
Master of Science – University of Freiburg
Thesis: "Memory Effects of Non-Equilibrium Processes in a Polymer Melt"
Ph.D. – University of Düsseldorf (HHU) & Research Center Jülich (FZJ)
Thesis: "Exploring the Free Energy Landscape and Conformational Dynamics of Intrinsically Disordered Proteins and Amyloid Aggregation"
Selected Publications
-
M. Schäffler, M. Khaled, B. Strodel
ATRANET – Automated generation of transition networks for the structural characterization of intrinsically disordered proteins, Methods, 206 (2022) -
M. Schäffler, S. Samantray, B. Strodel
Transition Networks Unveil Disorder-to-Order Transformations in Aβ Caused by Glycosaminoglycans or Lipids, International Journal of Molecular Sciences, 24 (2023) -
M. Schäffler, D. Wales, B. Strodel
The energy landscape of Aβ₄₂: a funnel to disorder for the monomer becomes a folding funnel for self-assembly, Chemical Communications, 60 (2024)
Contact
Email: mo.schaeffler(at)fz-juelich.de