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Marie Weiel
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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
282021
Rapid interpretation of small-angle X-ray scattering data
M Weiel, I Reinartz, A Schug
PLoS computational biology 15 (3), e1006900, 2019
232019
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
52020
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
42023
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
42021
FRET dyes significantly affect SAXS intensities of proteins
I Reinartz, M Weiel, A Schug
Israel journal of chemistry 60 (7), 725-734, 2020
42020
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
3*
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
12023
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
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
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