Hub, Jochen, Prof. Dr.

  • 1998 - 2004 Physics studies at the University of Stuttgart and the University of Oregon
  • 2004 - 2008 PhD studies at the Max-Planck-Institute for Biophysical Chemistry
  • 2008 - 2009 Postdoc at the Max-Planck-Institute for Biophysical Chemistry
  • 2009 - 2011 Marie-Curie fellow at Uppsala University, Sweden
  • Spring 2011 Guest researcher at Stanford University
  • 2012 - 2017 Group head at the University of Göttingen, Emmy Noether programme
  • 2017 - 2018 Heisenberg-Stipend from the DFG
  • since 2018 Professor for Theoretical Biophysics, Saarland University

Major Research Interests

We develop methods related to molecular dynamics (MD) simulations, with the aim to understand the relationship between structure, dynamics, and
function of biological macromolecules. At present, the Emmy-Noether group is primarily active in two fields of research.

First, we develop and implement MD simulation methods with the aim to interpret experimental scattering patterns with low information
content. Such experiments can in principle observe conformational motions of proteins, even in a time-resolved manner. However, the experimental data alone is frequently inconclusive. We combine experimental data and MD simulation in order to derive a molecular picture of such conformational transitions - that is to observe protein function in action.

Second, we use MD simulations to study the permeation of molecules or peptides across biological membranes and membrane channels. Our approach is to employ free-energy-related simulation methods, in order to derive a quantitative understanding such processes.

Homepage Department/Research Group

Selected Recent Publications

  • Ting CL, Awasthi N, Müller M, Hub JS (2018) Metastable prepores in tension-free lipid bilayers, Phys. Rev. Lett., 120, 128103

  • Hub JS (2018) Interpreting solution X-ray scattering data using molecular simulations, Curr. Opin. Struct. Biol., 49, 18-26

  • Ivanović MT, Bruetzel L, Lipfert J, Hub JS (2018) Temperature-dependent atomic models of detergent micelles refined against small-angle X-ray scattering data Angew. Chem. Int. Ed., 57, 5635-5639

  • Atkovska K, Klingler J, Oberwinkler J, Keller S, Hub JS (2018) Rationalising steroid interactions with lipid membranes: conformations, partitioning, and kinetics ACS Central Science, 4, 1155-1165

  • Guardado-Calvo P, Atkovska K, Jeffers SA, Grau N, Backovic M, Pérez-Vargas J, de Boer SM, Tortorici MA, Pehau-Arnaudet G, Lepault J, England P, Rottier PJ, Bosch BJ, Hub JS, Félix AA (2017) Glycerophospholipid-specific pocket in the RVFV class II fusion protein drives target-membrane insertion,. Rey, Science, 358, 663-667

  • Shevchuk R, Hub JS (2017) Bayesian refinement of protein structures and ensembles against SAXS data using molecular dynamics, PLoS Comp. Biol., 13, e1005800

  • Atkovska K, Hub JS (2017) Energetics and mechanism of anion permeation across formate-nitrite-transporters, Sci. Rep., 7, 12027