Publikationen 2018 - Theoretische Biophysik

A. H. Bahrami, T. R. Weikl, “Curvature-Mediated Assembly of Janus Nanoparticles on Membrane Vesicles” Nano Lett., (2018).
[https://dx.doi.org/10.1021/acs.nanolett.7b04855]

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).
[https://dx.doi.org/10.1093/jmicro/dfy033]

P. Cossio, G. Hummer, A. Szabo, “Transition paths in single-molecule force spectroscopy” J. Chem. Phys. 148, 123309 (2018).
[https://dx.doi.org/10.1063/1.5004767]

R. Covino, G. Hummer, R. Ernst: Integrated Functions of Membrane Property Sensors and a Hidden Side of  the Unfolded Protein Response. Molecular Cell. 71(3):458-467, 2018
https://dx.doi.org/10.1016/j.molcel.2018.07.019

S. Cruz-León, A. Vázquez-Mayagoitia, S. Melchionna, N. Schwierz, and M. Fyta. Coarse-Grained Double-Stranded RNA Model from Quantum-Mechanical Calculations. J. Phys. Chem. B, 122(32), 7915-7928, 2018
https://dx.doi.org/10.1021/acs.jpcb.8b03566

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)
[https://dx.doi.org/10.1002/anie.201803682]

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).
[https://dx.doi.org/10.1083/jcb.201802027]

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).
https://dx.doi.org/10.1021/acs.jpclett.8b01090

M. Linke, J. Köfinger, G. Hummer, "Fully Anisotropic Rotational Diffusion Tensor from Molecular Dynamics  Simulations"  J. Phys. Chem. B 122, 21, 5630-5639 (2018).
https://dx.doi.org/10.1021/acs.jpcb.7b11988

S. Mamatkulov and N. Schwierz. Force fields for monovalent and divalent metal cations in TIP3P water  based on thermodynamic and kinetic properties.  J. Phys. Chem., 148(7), 074504, 2018
[https://dx.doi.org/doi/10.1021/acs.jpcb.6b10189]

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).
[https://dx.doi.org/10.1038/s41467-018-02880-2]

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
https://pubs.rsc.org/en/content/articlepdf/2018/cc/c8cc06838k

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).
[https://dx.doi.org/10.1021/acsomega.7b01895]

Martin Vögele, Jürgen Köfinger and Gerhard Hummer:
Molecular dynamics simulations of carbon nanotube porins in lipid bilayers
Faraday Discuss., 2018,209, 341-358
https://dx.doi.org/10.1039/C8FD00011E
Discussions: https://pubs.rsc.org/en/content/articlelanding/fd/2018/c8fd90022a

M. Vögele, J. Köfinger, G. Hummer, "Hydrodynamics of Diffusion in Lipid Membrane Simulations"  Phys. Rev. Lett. 120, 26, 268104 (2018).
https://doi.org/10.1103/PhysRevLett.120.268104


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

Kontaktinformationen:

Max-Planck-Institut für Biophysik

Prof. Dr. Gerhard Hummer, Geschäftsführender Direktor
Abteilung Theoretische Biophysik
Assistentin des Direktors: Christina Brandt

Tel.: +49 (0) 69 6303-2501
E-mail: office-hummer(at)biophys.mpg.de

Abt. Publikationen nach Jahr: