315 citations · 576 across the 6 of their papers we have counts for
7 papers
Massively Parallel Genetic Optimization through Asynchronous Propagation of Populations
Oskar Taubert, Marie Weiel, Daniel Coquelin +5
We present Propulate, an evolutionary optimization algorithm and software package for global optimization and in particular hyperparameter search. For efficient use of HPC resource…
JUWELS Booster -- A Supercomputer for Large-Scale AI Research
Stefan Kesselheim, Andreas Herten, Kai Krajsek +15
In this article, we present JUWELS Booster, a recently commissioned high-performance computing system at the Jülich Supercomputing Center. With its system architecture, most import…
Shedding light on the dark matter of the biomolecular structural universe: Progress in RNA 3D structure prediction
Fabrizio Pucci, Alexander Schug
Structured RNA plays many functionally relevant roles in molecular life. Structural information, while required to understand the functional cycles in detail, is challenging to gat…
Maxent-Stress Optimization of 3D Biomolecular Models
Michael Wegner, Oskar Taubert, Alexander Schug +1
Knowing a biomolecule's structure is inherently linked to and a prerequisite for any detailed understanding of its function. Significant effort has gone into developing technologie…
Large-scale identification of coevolution signals across homo-oligomeric protein interfaces by Direct Coupling Analysis
Guido Uguzzoni, Shalini John Lovis, Francesco Oteri +3
Proteins have evolved to perform diverse cellular functions, from serving as reaction catalysts to coordinating cellular propagation and development. Frequently, proteins do not ex…
Direct-Coupling Analysis of nucleotide coevolution facilitates RNA secondary and tertiary structure prediction
Eleonora De Leonardis, Benjamin Lutz, Sebastian Ratz +4
Despite the biological importance of non-coding RNA, their structural characterization remains challenging. Making use of the rapidly growing sequence databases, we analyze nucleot…
Coevolutionary landscape inference and the context-dependence of mutations in beta-lactamase TEM-1
Matteo Figliuzzi, Hervé Jacquier, Alexander Schug +2
The quantitative characterization of mutational landscapes is a task of outstanding importance in evolutionary and medical biology: It is, e.g., of central importance for our under…