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The Journal of Chemical Physics|October 24, 2019
Back-mapping based sampling: Coarse grained free energy landscapes as a guideline for atomistic explorationSimon Hunkler, Tobias Lemke, Christine Peter, et al.
The Journal of Chemical Physics|April 15, 2023
Fast conformational clustering of extensive molecular dynamics simulation dataSimon Hunkler, Kay Diederichs, Oleksandra Kukharenko, et al.
Frontiers in Chemistry|January 27, 2023
Generating a conformational landscape of ubiquitin chains at atomistic resolution by back-mapping based samplingSimon Hunkler, Teresa Buhl, Oleksandra Kukharenko, et al.
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