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Volkhardt, A.; Grubmüller, H.: Estimating ruggedness of free-energy landscapes of small globular proteins from principal component analysis of molecular dynamics trajectories. Physical Review E 105, 044404 (2022)

DeVine, J.; Choudhury, A.; Lau, J. A.; Schwarzer, D.; Wodtke, A. M.: Spin-forbidden carbon–carbon bond formation in vibrationally excited α-CO. The Journal of Physical Chemistry A 126 (14), S. 2270 - 2277 (2022)

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Kutzner, C.; Kniep, C.; Cherian, A.; Nordstrom, L.; Grubmüller, H.; de Groot, B. L.; Gapsys, V.: GROMACS in the cloud: A global supercomputer to speed up alchemical drug design. Journal of Chemical Infomation and Modeling 62 (7), S. 1691 - 1711 (2022)

Golibrzuch, K.; Schwabe, S.; Zhong, T.; Papendorf, K.; Wodtke, A. M.: Application of an event-based camera for real-time velocity resolved kinetics. The Journal of Physical Chemistry A 126 (13), S. 2142 - 2148 (2022)

Bock, L. V.; Grubmüller, H.: Effects of cryo-EM cooling on structural ensembles. Nature Communications 13, 1709 (2022)

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Najbauer, E. E.; Ng, S. C.; Griesinger, C.; Görlich, D.; Andreas, L. B.: Atomic resolution dynamics of cohesive interactions in phase-separated Nup98 FG domains. Nature Communications 13, 1494 (2022)

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Igaev, M.; Grubmüller, H.: Bending-torsional elasticity and energetics of the plus-end microtubule tip. Proc. Nat. Acad. Sci. 119 (12), S. e2115516119 (2022)

Hirrlinger, J.; Nimmerjahn, A.: A perspective on astrocyte regulation of neural circuit function and animal behavior. Glia, In Press (2022)

Düster, R.; Ji, Y.; Pan, K.-T.; Urlaub, H.; Geyer, M.: Functional characterization of the human Cdk10/Cyclin Q complex. Open Biology 12 (3), 210381 (2022)

Gapsys, V.; Hahn, D. F.; Tresadern, G.; Mobley, D. L.; Rampp, M.; de Groot, B.: Pre-exascale computing of protein-ligand binding free energies with open source software for drug design. Journal of Chemical Information and Modeling 62 (5), S. 1172 - 1177 (2022)

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Öster, C.; Tekwani Movellan, K.; Goold, B.; Hendriks, K.; Lange, S.; Becker, S.; de Groot, B. L.; Kopec, W.; Andreas, L. B.; Lange, A.: Direct detection of bound ammonium ions in the selectivity filter of ion channels by solid-state NMR. Journal of the American Chemical Society 144 (9), S. 4147 - 4157 (2022)