Gerhard Hummer: Theoretical Biophysics – Department Publications
Journal Article (24)
2017
Journal Article
6, 10.7554/eLife.30483 (2017)
Cryo-EM structure of the bifunctional secretin complex of Thermus thermophilus. eLife
Journal Article
13 (12), pp. 6328 - 6342 (2017)
Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations. Journal of Chemical Theory and Computation
Journal Article
57 (11), pp. 2833 - 2845 (2017)
Classical Molecular Dynamics with Mobile Protons. Journal of Chemical Information and Modeling
Journal Article
13 (10), e1005817 (2017)
Scaffolding the cup-shaped double membrane in autophagy. PLoS Computational Biology
Journal Article
147 (15), 152716 (2017)
Transition path sampling of rare events by shooting from the top. The Journal of Chemical Physics
Journal Article
147 (15), 152725 (2017)
Peptide dimerization-dissociation rates from replica exchange molecular dynamics. The Journal of Chemical Physics
Journal Article
7 (3), 031060 (2017)
Variational Identification of Markovian Transition States. Physical Review X
Journal Article
11 (9), pp. 9558 - 9565 (2017)
Formation and Stability of Lipid Membrane Nanotubes. ACS Nano
Journal Article
112 (37), pp. 11571 - 11576 (2017)
Redox-induced activation of the proton pump in the respiratory complex I. Proceedings of the National Academy of Sciences of the United States of America
Journal Article
139 (34), pp. 11674 - 11677 (2017)
Resolving the Conformational Dynamics of DNA with Ångstrom Resolution by Pulsed Electron–Electron Double Resonance and Molecular Dynamics. Journal of the American Chemical Society
Journal Article
67 (4), pp. 673 - 684 (2017)
Activation of the Unfolded Protein Response by Lipid Bilayer Stress. Molecular Cell
Journal Article
13 (8), pp. 3927 - 3935 (2017)
Kinetics from Replica Exchange Molecular Dynamics Simulations. Journal of Chemical Theory and Computation
Journal Article
114 (28), pp. E5494 - E5503 (2017)
Intrinsic map dynamics exploration for uncharted effective free-energy landscapes. Proceedings of the National Academy of Sciences of the United States of America
Journal Article
6, e23471 (2017)
Modeling Hsp70/Hsp40 interaction by multi-scale molecular simulations and coevolutionary sequence analysis. eLife
Journal Article
13 (6), pp. 2962 - 2976 (2017)
Position-Dependent Diffusion Tensors in Anisotropic Media from Simulation: Oxygen Transport in and through Membranes. Journal of Chemical Theory and Computation
Journal Article
85 (5), pp. 812 - 826 (2017)
Systematic evaluation of CS‐Rosetta for membrane protein structure prediction with sparse NOE restraints. Proteins: Structure, Function, and Bioinformatics
Journal Article
121 (15), pp. 3331 - 3339 (2017)
Dynamics of the Orientational Factor in Fluorescence Resonance Energy Transfer. The Journal of Physical Chemistry B
Journal Article
18 (8), pp. 942 - 948 (2017)
Molecule Counts in Localization Microscopy with Organic Fluorophores. ChemPhysChem
Journal Article
11 (2), pp. 1273 - 1280 (2017)
Carbon Nanotubes Mediate Fusion of Lipid Vesicles. ACS Nano
Journal Article
121 (7), pp. 1525 - 1530 (2017)
Equivalence of M- and P-Summation in Calculations of Ionic Solvation Free Energies. The Journal of Physical Chemistry A
Journal Article
121 (4), pp. 671 - 682 (2017)
From Aβ Filament to Fibril: Molecular Mechanism of Surface-Activated Secondary Nucleation from All-Atom MD Simulations. The Journal of Physical Chemistry B
Journal Article
114 (4), pp. E438 - E447 (2017)
Crystal structure and mechanistic basis of a functional homolog of the antigen transporter TAP. Proceedings of the National Academy of Sciences of the United States of America
Journal Article
210 (01), pp. 163 - 171 (2017)
BioEM: GPU-accelerated computing of Bayesian inference of electron microscopy images. Computer Physics Communications
Journal Article
Helical jackknives control the gates of the double-pore K+ uptake system KtrABs. eLife, pp. 1 - 21 (2017)
Conference Paper (1)
2017
Conference Paper
10071, 100710K. SPIE BiOS, 2017, San Francisco, California, United States, January 28, 2017 - February 02, 2017. (2017)
Molecular counting of membrane receptor subunits with single-molecule localization microscopy. In: Proceedings SPIE 10071, Single Molecule Spectroscopy and Superresolution Imaging X, Vol. Thesis - PhD (1)
2017
Thesis - PhD
Computational Modeling of Membrane Proteins with Sparse Experimental Data. Dissertation, 179 pp., Fachbereich Biochemie, Chemie, Pharmazie, Johann Wolfgang Goethe-Universität Frankfurt, Frankfurt am Main (2017)
Thesis - Master (4)
2017
Thesis - Master
Lead discovery from the mycobacterial ATP synthase Fo rotor ring and characterisation of its binding site. Master, 75 pp., Goethe-Universität Frankfurt, Frankfurt am Main (2017)
Thesis - Master
Conformational Dynamics of Single-Stranded Nucleic Acids - A Comparison of Molecular Dynamics Simulations to Single-Molecule FRET Experiments. Master, 102 pp., Goethe-Universität Frankfurt, Fachbereich Physik, Frankfurt am Main (2017)
Thesis - Master
Predicting Drug-Fragment Binding Sites with Molecular Dynamics Simulations and Markov State Models. Master, 97 pp., Goethe-Universität Frankfurt, Frankfurt am Main (2017)
Thesis - Master
Biophysical analysis of a membrane sensing amphipathic helix in vitro and in silico. Master, 89 pp., Fachbereich Biochemie, Chemie, Pharmazie, Johann Wolfgang Goethe-Universität Frankfurt, Frankfurt am Main (2017)