2012
Pluhařová E., Maršálek O., Schmidt B., Jungwirth P.:
Peptide salt bridge stability: From gas phase via microhydration to bulk water simulations.
Journal of Chemical Physics 137: 185101 (2012).
Pluhařová E., Ončák M., Seidel R., Schroeder C., Schroeder W., Winter B., Bradforth S.E., Jungwirth P., Slavíček P.:
Transforming Anion Instability into Stability: Contrasting Photoionization of Three Protonation Forms of the Phosphate Ion upon Moving into Water.
Journal of Physical Chemistry B 116: 13254 (2012).
Uhlig F., Maršálek O., Jungwirth P.:
Unraveling the Complex Nature of the Hydrated Electron.
Journal of Physical Chemistry Letters 3: 3071 (2012).
Bardham J., Jungwirth P., Makowski L.:
Affine-Response Model of Molecular Solvation of Ions: Accurate Predictions of Asymmetric Charging Free Energies.
Journal of Chemical Physics 137: 124101 (2012).
Buchholz M., Goletz C.-M., Grossmann F., Schmidt B., Heyda J., Jungwirth P.:
Semiclassical Hybrid Approach to Condensed Phase Molecular Dynamics: Application to the I2Kr17 Cluster.
Journal of Physical Chemistry A 116: 11199 (2012).
Vazdar M., Pluhařová E., Mason P.E., Vácha R., Jungwirth P.:
Ions at Hydrophobic Aqueous Interfaces: Molecular Dynamics with Effective Polarization.
Journal of Physical Chemistry Letters 3: 2087 (2012).
Vazdar M., Uhlig F., Jungwirth P.:
Like-Charge Ion Pairing in Water: An Ab Initio Molecular Dynamics Study of Aqueous Guanidinium Cations.
Journal of Physical Chemistry Letters 3: 2021 (2012).
Mason P.E., Wernersson E., Jungwirth P.:
Accurate Description of Aqueous Carbonate Ions: An Effective Polarization Model Verified by Neutron Scattering.
Journal of Physical Chemistry B 116: 8145 (2012).
Jurkiewicz P., Olzynska A., Cwiklik L., Conte E., Jungwirth P., Megli F.M., Hof M.:
Biophysics of lipid bilayers containing oxidatively modified phospholipids: Insights from fluorescence and EPR experiments and from MD simulations.
Biochimica at Biophysica Acta - Biomembranes 1818: 2388 (2012).
Rembert K., Paterová J., Heyda J., Hilty C., Jungwirth P., Cremer P.S.:
The Molecular Mechanisms of Ion-Specific Effects on Proteins.
Journal of the American Chemical Society 134: 10039 (2012).
Pedago L., Maršálek O., Jungwirth P., Wernersson E.:
Solvation and Ion-Pairing Properties of the Aqueous Sulfate Anion: Explicit versus Effective Electronic Polarization.
Physical Chemistry Chemical Physics 14: 10248 (2012).
Vazdar M., Jurkiewicz P., Hof M., Jungwirth P., Cwiklik L.:
Behavior of 4-hydroxynonenal in Phospholipid Membranes.
Journal of Physical Chemistry B 116: 6411 (2012).
Kubíčková A., Křížek T., Coufal P., Vazdar M., Wernersson E., Jungwirth P.:
Overcharging in Biological Systems: Reversal of Electrophoretic Mobility of Aqueous Polyaspartate by Multivalent Cations.
Physical Review Letters 108: 186101 (2012).
Wernersson E., Heyda J., Kubíčková A., Křížek T., Coufal P., Jungwirth P.:
Counterion Condensation in Short Cationic Peptides: Limiting Mobilities Beyond the Onsager-Fuoss Theory.
Electrophoresis 33: 981 (2012).
Maršálek O., Uhlig F., VandeVondele J., Jungwirth P.:
Structure, Dynamics, and Reactivity of Hydrated Electrons by Ab Initio Molecular Dynamics.
Accounts of Chemical Research 45: 23 (2012).
Vácha R., Maršálek O., Willard A.P., Bonthuis D.J., Netz R.R., Jungwirth P.:
Charge Transfer between Water Molecules As the Possible Origin of the Observed Charging at the Surface of Pure Water.
Journal of Physical Chemistry Letters 3: 107 (2012).
Jurkiewicz P., Cwiklik L., Jungwirth P., Hof M.:
Lipid hydration and mobility: An interplay between fluorescence solvent relaxation experiments and molecular dynamics simulations.
Biochimie 94: 26 (2012).