Computational Pharmaceutical Chemistry and Molecular Bioinformatics
10/23: We developed LISTER as a methodological and algorithmic solution to create and extract metadata from annotated, template-based experimental documentation using minimum effort. LISTER uses eLabFTW as the electronic lab notebook and has four components (see above). Read more here.
08/22: We provided a glimpse into the world of proteins at the Tag der Neugier at Forschungszentrum Jülich. See our video here.
10/23: Three grants for computing time on JUWELS, Juelich Supercomputing Center, have been approved, two for molecular simulations and one for machine learning.
The proposal "Structural dynamics of apo, agonist- and antagonist-bound full-length ETR1" has been awarded the John von Neumann Institute for Computing (NIC) Excellence Award 2023/1. Read more here.