Gerhard Hummer

Research interests

Publications

• In situ structural analysis of SARS-CoV-2 spike reveals flexibility mediated by three hinges

  Science · 2020 · https://doi.org/10.1126/science.abd5223

• Papain-like protease regulates SARS-CoV-2 viral spread and innate immunity

  Nature · 2020 · https://doi.org/10.1038/s41586-020-2601-5

• Activation of the Unfolded Protein Response by Lipid Bilayer Stress

  Molecular Cell · 2017 · https://doi.org/10.1016/j.molcel.2017.06.012

• Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation

  Science · 2015 · https://doi.org/10.1126/science.aac5492

• Native contacts determine protein folding mechanisms in atomistic simulations

  Proceedings of the National Academy of Sciences · 2013 · https://doi.org/10.1073/pnas.1311599110

• Optimized Molecular Dynamics Force Fields Applied to the Helix−Coil Transition of Polypeptides

  The Journal of Physical Chemistry B · 2009 · https://doi.org/10.1021/jp901540t

• Theory, analysis, and interpretation of single-molecule force spectroscopy experiments

  Proceedings of the National Academy of Sciences · 2008 · https://doi.org/10.1073/pnas.0806085105

• Coarse Master Equations for Peptide Folding Dynamics

  The Journal of Physical Chemistry B · 2008 · https://doi.org/10.1021/jp0761665

• Are Current Molecular Dynamics Force Fields too Helical?

  Biophysical Journal · 2008 · https://doi.org/10.1529/biophysj.108.132696

• Water in Nonpolar Confinement: From Nanotubes to Proteins and Beyond

  Annual Review of Physical Chemistry · 2007 · https://doi.org/10.1146/annurev.physchem.59.032607.093815

• Intrinsic Rates and Activation Free Energies from Single-Molecule Pulling Experiments

  Physical Review Letters · 2006 · https://doi.org/10.1103/physrevlett.96.108101

• Reaction coordinates and rates from transition paths

  Proceedings of the National Academy of Sciences · 2005 · https://doi.org/10.1073/pnas.0408098102

• Position-dependent diffusion coefficients and free energies from Bayesian analysis of equilibrium and replica molecular dynamics simulations

  New Journal of Physics · 2005 · https://doi.org/10.1088/1367-2630/7/1/034

• System-Size Dependence of Diffusion Coefficients and Viscosities from Molecular Dynamics Simulations with Periodic Boundary Conditions

  The Journal of Physical Chemistry B · 2004 · https://doi.org/10.1021/jp0477147

• Equation‐free: The computer‐aided analysis of complex multiscale systems

  AIChE Journal · 2004 · https://doi.org/10.1002/aic.10106

• Kinetics from Nonequilibrium Single-Molecule Pulling Experiments

  Biophysical Journal · 2003 · https://doi.org/10.1016/s0006-3495(03)74449-x

• Proton Transport through Water-Filled Carbon Nanotubes

  Physical Review Letters · 2003 · https://doi.org/10.1103/physrevlett.90.105902

• From transition paths to transition states and rate coefficients

  The Journal of Chemical Physics · 2003 · https://doi.org/10.1063/1.1630572

• Osmotic water transport through carbon nanotube membranes

  Proceedings of the National Academy of Sciences · 2003 · https://doi.org/10.1073/pnas.1633354100

• Single-File Transport of Water Molecules through a Carbon Nanotube

  Physical Review Letters · 2002 · https://doi.org/10.1103/physrevlett.89.064503

• Free energy reconstruction from nonequilibrium single-molecule pulling experiments

  Proceedings of the National Academy of Sciences · 2001 · https://doi.org/10.1073/pnas.071034098

• Water conduction through the hydrophobic channel of a carbon nanotube

  Nature · 2001 · https://doi.org/10.1038/35102535

• The pressure dependence of hydrophobic interactions is consistent with the observed pressure denaturation of proteins

  Proceedings of the National Academy of Sciences · 1998 · https://doi.org/10.1073/pnas.95.4.1552

• Free Energy of Ionic Hydration

  The Journal of Physical Chemistry · 1996 · https://doi.org/10.1021/jp951011v

• An information theory model of hydrophobic interactions.

  Proceedings of the National Academy of Sciences · 1996 · https://doi.org/10.1073/pnas.93.17.8951

Current projects

No projects listed.