Vögele, M.; Köfinger, J.; Hummer, G.: Hydrodynamics of Diffusion in Lipid Membrane Simulations. Physical Review Letters 120 (26), 268104 (2018)

De Vos, O.; Venable, R. M.; Van Hecke, T.; Hummer, G.; Pastor, R. W.; Ghysels, A.: Membrane Permeability: Characteristic Times and Lengths for Oxygen and a Simulation-Based Test of the Inhomogeneous Solubility-Diffusion Model. Journal of Chemical Theory and Computation 14 (7), S. 3811 - 3824 (2018)

Linke, M.; Köfinger, J.; Hummer, G.: Rotational Diffusion Depends on Box Size in Molecular Dynamics Simulations. The Journal of Physical Chemistry Letters 9 (11), S. 2874 - 2878 (2018)

Linke, M.; Köfinger, J.; Hummer, G.: Fully Anisotropic Rotational Diffusion Tensor from Molecular Dynamics Simulations. The Journal of Physical Chemistry B 122 (21), S. 5630 - 5639 (2018)

Ardevol, A.; Hummer, G.: Retinal isomerization and water-pore formation in channelrhodopsin-2. Proceedings of the National Academy of Sciences of the United States of America 115 (14), S. 3557 - 3562 (2018)

Cossio, P.; Hummer, G.: Likelihood-based structural analysis of electron microscopy images. Current Opinion in Structural Biology 49, S. 162 - 168 (2018)

Cossio, P.; Hummer, G.; Szabo, A.: Transition paths in single-molecule force spectroscopy. The Journal of Chemical Physics 148 (12), 123309 (2018)

Rossini, E.; Bochevarov, A. D.; Knapp, E. W.: Empirical Conversion of pK_a Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and Methanol. ACS Omega 3 (2), S. 1653 - 1662 (2018)

Mamatkulov, S.; Schwierz, N.: Force fields for monovalent and divalent metal cations in TIP3P water based on thermodynamic and kinetic properties. The Journal of Chemical Physics 148 (7), 074504 (2018)

Bahrami, A. H.; Weikl, T. R.: Curvature-Mediated Assembly of Janus Nanoparticles on Membrane Vesicles. Nano Letters 18 (2), S. 1259 - 1263 (2018)

Ramírez, A. S.; Boilevin, J.; Mehdipour, A. R.; Hummer, G.; Darbre, T.; Reymond, J.-L.; Locher, K. P.: Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase. Nature Communications 9, 445 (2018)

Sebastián, M.; Anoz-Carbonell, E.; Gracia, B.; Cossio, P.; Aínsa, J. A.; Lans, I.; Medina, M.: Discovery of antimicrobial compounds targeting bacterial type FAD synthetases. Journal of Enzyme Inhibition and Medicinal Chemistry 33 (1), S. 241 - 254 (2018)

D'Imprima, E.; Salzer, R.; Bhaskara, R. M.; Sánchez, R.; Rose, I.; Kirchner, L.; Hummer, G.; Kühlbrandt, W.; Vonck, J.; Averhoff, B.: Cryo-EM structure of the bifunctional secretin complex of Thermus thermophilus. eLife 6, 10.7554/eLife.30483 (2017)

Stelzl, L. S.; Kells, A.; Rosta, E.; Hummer, G.: Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations. Journal of Chemical Theory and Computation 13 (12), S. 6328 - 6342 (2017)

Lazaridis, T.; Hummer, G.: Classical Molecular Dynamics with Mobile Protons. Journal of Chemical Information and Modeling 57 (11), S. 2833 - 2845 (2017)

Bahrami, A. H.; Lin, M. G.; Ren, X.; Hurley, J. H.; Hummer, G.: Scaffolding the cup-shaped double membrane in autophagy. PLoS Computational Biology 13 (10), e1005817 (2017)

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)

Leahy, C. T.; Kells, A.; Hummer, G.; Buchete, N.-V.; Rosta, E.: Peptide dimerization-dissociation rates from replica exchange molecular dynamics. The Journal of Chemical Physics 147 (15), 152725 (2017)

Martini, L.; Covino, R.; Hummer, G.; Buchete, N.-V.; Rosta, E.: Variational Identification of Markovian Transition States. Physical Review X 7 (3), 031060 (2017)

Bahrami, A. H.; Hummer, G.: Formation and Stability of Lipid Membrane Nanotubes. ACS Nano 11 (9), S. 9558 - 9565 (2017)