Publications 2018 - Theoretical Biophysics

A. H. Bahrami, T. R. Weikl, “Curvature-Mediated Assembly of Janus
Nanoparticles on Membrane Vesicles” Nano Lett., (2018).

P. Cossio, M. Allegretti, F. Mayer, V. Müller, J. Vonck, G. Hummer: Bayesian inference of rotor ring stoichiometry from electron microscopy images of archaeal ATP synthase. Microscopy 1-8 (2018).

P. Cossio, G. Hummer, A. Szabo, “Transition paths in single-molecule force spectroscopy” J. Chem. Phys. 148, 123309 (2018).

R. Covino, G. Hummer, R. Ernst: Integrated Functions of Membrane Property Sensors and a Hidden Side of  the Unfolded Protein Response. Molecular Cell. 2018 Aug 2;71(3):458-467.

Sergio Cruz-León, Alvaro Vázquez-Mayagoitia, Simone Melchionna, Nadine Schwierz, and Maria Fyta: Coarse-Grained Double-Stranded RNA Model from Quantum-Mechanical Calculations. The Journal of Physical Chemistry B 2018 122 (32), 7915-7928

Markus Gränz, Nicole Erlenbach, Philpp Spindler, Dnyaneshwar B. Gophane, Lukas S. Stelzl, Snorri T. Sigurdsson, Thomas F. Prisner, Angew. Chem. Int. Ed. 57, 33, 10540-10543 (2018)

Harald F. Hofbauer, Michael Gecht, Sabine C. Fischer, Anja Seybert,  Achilleas S. Frangakis, Ernst H.K. Stelzer, Roberto Covino, Gerhard  Hummer, Robert Ernst, "The molecular recognition of phosphatidic acid by an amphipathic helix in Opi1" J. Cell Biol., 217 (9) 3109-3126, (2018).

M. Linke, J. Köfinger, G. Hummer, "Rotational Diffusion Depends on Box Size in Molecular Dynamics Simulations" J. Phys. Chem. Lett. 9, 11, 2874-2878 (2018).

M. Linke, J. Köfinger, G. Hummer, "Fully Anisotropic Rotational Diffusion Tensor from Molecular Dynamics  Simulations"  J. Phys. Chem. B 122, 21, 5630-5639 (2018).

S. Mamatkulov and N. Schwierz. Force fields for monovalent and divalent metal cations in TIP3P water  based on thermodynamic and kinetic properties. J. Chem. Phys., 148(7), 074504, (2018). []

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

E. Rossini, J. Gajewski, M. Klaus, G. Hummer, M. Grininger, "Analysis and engineering of substrate shuttling by the acyl carrier protein (ACP) in fatty acid synthases (FASs)", Chem. Commun., 2018, Advance Article

E. Rossini, A.D. Bochevarov, E.W. Knapp “Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters:  Application to Water, Acetonitrile, Dimethyl Sulfoxide, and Methanol.”  ACSOmega 3, 1653−1662 (2018).

Martin Vögele, Jürgen Köfinger and Gerhard Hummer:
Molecular dynamics simulations of carbon nanotube porins in lipid bilayers
Faraday Discuss., 2018,209, 341-358

M. Vögele, J. Köfinger, G. Hummer, "Hydrodynamics of Diffusion in Lipid Membrane Simulations"  Phys. Rev. Lett. 120, 26, 268104 (2018).

Master's Thesis

Patrick Quoika: Thermodynamic and structural properties of dense  protein solutions. Goethe-Universität, Frankfurt am Main, 2018.

Bachelor's Thesis
Sebastian Roy: Integrating experimental data into replica simulations of biomolecules. Goethe-Universität, Frankfurt am Main, 2018


Max Planck Institute of Biophysics

Prof. Dr. Gerhard Hummer, Managing Director
Department of Theoretical Biophysics
Assistant to the Director: Christina Brandt

Phone: +49 (0) 69 6303-2501
E-mail: office-hummer(at)

Dept. Publications by year: