Publications of Hendrik Jung

Gewering, T.; Waghray, D.; Parey, K.; Jung, H.; Tran, N. N. B.; Zapata, J.; Zhao, P.; Chen, H.; Januliene, D.; Hummer, G. et al.; Urbatsch, I.; Moeller, A.; Zhang, Q.: Tracing the substrate translocation mechanism in P-glycoprotein. eLife 12, RP90174 (2024)

Lazzeri, G.; Jung, H.; Bolhuis, P. G.; Covino, R.: Molecular Free Energies, Rates, and Mechanisms from Data-Efficient Path Sampling Simulations. Journal of Chemical Theory and Computation 19 (24), pp. 9060 - 9076 (2023)

Jung, H.; Covino, R.; Arjun, A.; Leitold, C.; Dellago, C.; Bolhuis, P. G.; Hummer, G.: Machine-guided path sampling to discover mechanisms of molecular self-organization. Nature Computational Science 3 (4), pp. 334 - 345 (2023)

Schaefer, S. L.; Jung, H.; Hummer, G.: Binding of SARS-CoV-2 Fusion Peptide to Host Endosome and Plasma Membrane. The Journal of Physical Chemistry B 125 (28), pp. 7732 - 7741 (2021)

Okazaki, K.-i.; Wöhlert, D.; Warnau, J.; Jung, H.; Yildiz, Ö.; Kühlbrandt, W.; Hummer, G.: Mechanism of the electroneutral sodium/proton antiporter PaNhaP from transition-path shooting. Nature Communications 10, 1742 (2019)

Jung, H.; Okazaki, K.-i.; Hummer, G.: Transition path sampling of rare events by shooting from the top. The Journal of Chemical Physics 147 (15), 152716 (2017)

Jung, H.: Machine Learning for Biomolecular Simulations. Dissertation, 251 pp., FachbereichnPhysik Johann Wolfgang Goethe-Universität, Frankfurt am Main (2024)

Jung, H.: Automatically discovering molecular reaction mechanisms. Master, 96 pp., Fachbereich Physik, Johann Wolfgang Goethe-Universität, Frankfurt am Main (2019)

Jung, H.: „Shooting from the top“: Transition path sampling of paths with variable length. Bachelor, 45 pp., Fachbereich Biophysik, Johann Wolfgang Goethe-Universität Frankfurt, Frankfurt am Main (2015)