Dynamic particle swarm optimization of biomolecular simulation parameters with flexible objective functions M Weiel, M Götz, A Klein, D Coquelin, R Floca, A Schug Nature machine intelligence 3 (8), 727-734, 2021 | 34 | 2021 |
Rapid interpretation of small-angle X-ray scattering data M Weiel, I Reinartz, A Schug PLoS computational biology 15 (3), e1006900, 2019 | 23 | 2019 |
The trimeric major capsid protein of mavirus is stabilized by its interlocked N-termini enabling core flexibility for capsid assembly A Christiansen, M Weiel, A Winkler, A Schug, J Reinstein Journal of molecular biology 433 (7), 166859, 2021 | 8 | 2021 |
Massively Parallel Genetic Optimization Through Asynchronous Propagation of Populations O Taubert, M Weiel, D Coquelin, A Farshian, C Debus, A Schug, A Streit High Performance Computing: 38th International Conference, ISC High …, 0 | 7* | |
Feed-forward optimization with delayed feedback for neural networks K Flügel, D Coquelin, M Weiel, C Debus, A Streit, M Götz arXiv preprint arXiv:2304.13372, 2023 | 6 | 2023 |
Including residual contact information into replica-exchange MD simulations significantly enriches native-like conformations A Voronin, M Weiel, A Schug Plos one 15 (11), e0242072, 2020 | 5 | 2020 |
FRET dyes significantly affect SAXS intensities of proteins I Reinartz, M Weiel, A Schug Israel journal of chemistry 60 (7), 725-734, 2020 | 4 | 2020 |
RNA contact prediction by data efficient deep learning O Taubert, F von der Lehr, A Bazarova, C Faber, P Knechtges, M Weiel, ... Communications biology 6 (1), 913, 2023 | 2 | 2023 |
Harnessing Orthogonality to Train Low-Rank Neural Networks D Coquelin, K Flügel, M Weiel, N Kiefer, C Debus, A Streit, M Götz arXiv preprint arXiv:2401.08505, 2024 | 1 | 2024 |
AB-Training: A Communication-Efficient Approach for Distributed Low-Rank Learning D Coquelin, K Flügel, M Weiel, N Kiefer, M Öz, C Debus, A Streit, M Götz arXiv preprint arXiv:2405.01067, 2024 | | 2024 |
Deriving Protein Structures Efficiently by Integrating Experimental Data into Biomolecular Simulations (doi: 10.5445/IR/1000136249) M Weiel Steinbuch Centre for Computing, Karlsruhe Institute of Technology, 2021 | | 2021 |