Hendrik Jung

Machine-guided path sampling to discover mechanisms of molecular self-organization

Hendrik Jung, Roberto Covino, A. Arjun et al. · Nature Computational Science · 2023 · 127 citations · Full text

Natural Sciences, Biophysics, Chemistry +17

Binding of SARS-CoV-2 Fusion Peptide to Host Endosome and Plasma Membrane

Stefan L. Schaefer, Hendrik Jung, Gerhard Hummer · The Journal of Physical Chemistry B · 2021 · 65 citations · Full text

Life Sciences, Biology, Molecular Biology +16

Transition path sampling of rare events by shooting from the top

Hendrik Jung, Kei-ichi Okazaki, Gerhard Hummer · The Journal of Chemical Physics · 2017 · 63 citations · Full text

Computing, Computational Engineering, Dynamical Systems +11

Mechanism of the electroneutral sodium/proton antiporter PaNhaP from transition-path shooting

Kei-ichi Okazaki, David Wöhlert, Judith Warnau et al. · Nature Communications · 2019 · 53 citations · Full text

Life Sciences, Biochemistry, Molecular Biology +14

Artificial Intelligence Assists Discovery of Reaction Coordinates and Mechanisms from Molecular Dynamics Simulations

Hendrik Jung, Roberto Covino, Gerhard Hummer · arXiv (Cornell University) · 2019 · 39 citations · Full text

Natural Sciences, Chemistry, Biomolecular Modeling +8