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P. Jungwirth · SciRah

Researcher profile · Semantic Scholar

P. Jungwirth

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P. Jungwirth — researcher profile on SciRah

h-index: 79
Works: 389
Citations: 20K

Most-cited papers

Beyond the Hofmeister Series: Ion-Specific Effects on Proteins and Their Biological Functions.
H. Okur, Jana Hladílková, Kelvin B. Rembert, Younhee Cho +4 more
2017Journal of Physical Chemistry B613 citations Open access
Semantic Scholar
The complex nature of calcium cation interactions with phospholipid bilayers
Adéla Melcrová, Š. Pokorná, S. Pullanchery, Miriam Kohagen +5 more
2016Scientific Reports257 citations Open access
Semantic Scholar
Arginine-rich cell-penetrating peptides induce membrane multilamellarity and subsequently enter via formation of a fusion pore
Christoph Allolio, A. Magarkar, P. Jurkiewicz, Katarína L. Baxová +11 more
2018Proceedings of the National Academy of Sciences of the United States of America197 citations Open access
Semantic Scholar
Arginine "Magic": Guanidinium Like-Charge Ion Pairing from Aqueous Salts to Cell Penetrating Peptides.
M. Vazdar, J. Heyda, P. Mason, G. Tesei +3 more
2018Accounts of Chemical Research193 citations Open access
Semantic Scholar
Charge Scaling Manifesto: A Way of Reconciling the Inherently Macroscopic and Microscopic Natures of Molecular Simulations.
B. Kirby, P. Jungwirth
2019Journal of Physical Chemistry Letters138 citations
Semantic Scholar
Accounting for Electronic Polarization Effects in Aqueous Sodium Chloride via Molecular Dynamics Aided by Neutron Scattering.
Miriam Kohagen, P. Mason, P. Jungwirth
2016Journal of Physical Chemistry B138 citations
Semantic Scholar
A practical guide to biologically relevant molecular simulations with charge scaling for electronic polarization.
E. Duboué-Dijon, Matti Javanainen, P. Delcroix, P. Jungwirth +1 more
2020Journal of Chemical Physics116 citations Open access
Semantic Scholar
Hydration and Ion Pairing in Aqueous Mg2+ and Zn2+ Solutions: Force-Field Description Aided by Neutron Scattering Experiments and Ab Initio Molecular Dynamics Simulations.
E. Duboué-Dijon, P. Mason, H. Fischer, P. Jungwirth
2017Journal of Physical Chemistry B114 citations Open access
Semantic Scholar
Coulomb explosion during the early stages of the reaction of alkali metals with water.
P. Mason, F. Uhlig, V. Vaněk, T. Buttersack +2 more
2015Nature Chemistry114 citations
Semantic Scholar
Calcium ions in aqueous solutions: Accurate force field description aided by ab initio molecular dynamics and neutron scattering.
T. Martinek, E. Duboué-Dijon, Štěpán Timr, P. Mason +5 more
2018Journal of Chemical Physics107 citations Open access
Semantic Scholar
Polyarginine Interacts More Strongly and Cooperatively than Polylysine with Phospholipid Bilayers
A. D. Robison, Simou Sun, Matthew F. Poyton, G. Johnson +4 more
2016Journal of Physical Chemistry B106 citations Open access
Semantic Scholar
Accurate Binding of Sodium and Calcium to a POPC Bilayer by Effective Inclusion of Electronic Polarization.
Josef Melcr, Hector Martinez-Seara, R. Nencini, J. Kolafa +2 more
2018Journal of Physical Chemistry B105 citations
Semantic Scholar
Calcium Directly Regulates Phosphatidylinositol 4,5-Bisphosphate Headgroup Conformation and Recognition
Eva Bílková, R. Pleskot, S. Rissanen, Simou Sun +7 more
2017Journal of the American Chemical Society89 citations Open access
Semantic Scholar
Guanidinium can both Cause and Prevent the Hydrophobic Collapse of Biomacromolecules
J. Heyda, H. Okur, Jana Hladílková, Kelvin B. Rembert +5 more
2017Journal of the American Chemical Society85 citations Open access
Semantic Scholar
Biological Water or Rather Water in Biology?
P. Jungwirth
2015Journal of Physical Chemistry Letters85 citations
Semantic Scholar
Self-association of a highly charged arginine-rich cell-penetrating peptide
Giulio Tesei, M. Vazdar, M. R. Jensen, Carolina Cragnell +5 more
2017Proceedings of the National Academy of Sciences of the United States of America80 citations Open access
Semantic Scholar
Cholesterol under oxidative stress-How lipid membranes sense oxidation as cholesterol is being replaced by oxysterols.
W. Kulig, A. Olżyńska, P. Jurkiewicz, A. Kantola +12 more
2015Free Radical Biology & Medicine73 citations
Semantic Scholar
Modeling photoionization of aqueous DNA and its components.
Eva Pluhařová, P. Slavíček, P. Jungwirth
2015Accounts of Chemical Research73 citations
Semantic Scholar
Oxidation half-reaction of aqueous nucleosides and nucleotides via photoelectron spectroscopy augmented by ab initio calculations.
Christi Schroeder, Eva Pluhařová, R. Seidel, W. Schroeder +5 more
2015Journal of the American Chemical Society68 citations Open access
Semantic Scholar
Binding of Divalent Cations to Insulin: Capillary Electrophoresis and Molecular Simulations.
E. Duboué-Dijon, P. Delcroix, Hector Martinez-Seara, Jana Hladílková +3 more
2018Journal of Physical Chemistry B58 citations Open access
Semantic Scholar
Membrane targeting of the yeast exocyst complex.
R. Pleskot, Lukasz Cwiklik, P. Jungwirth, V. Žárský +1 more
2015Biochimica et Biophysica Acta55 citations Open access
Semantic Scholar
Exploring Ion-Ion Interactions in Aqueous Solutions by a Combination of Molecular Dynamics and Neutron Scattering.
Miriam Kohagen, Eva Pluhařová, P. Mason, P. Jungwirth
2015Journal of Physical Chemistry Letters55 citations Open access
Semantic Scholar
Photoelectron spectra of alkali metal–ammonia microjets: From blue electrolyte to bronze metal
T. Buttersack, P. Mason, Ryan S. McMullen, H. C. Schewe +13 more
2020Science52 citations Open access
Semantic Scholar
Experimental determination and computational interpretation of biophysical properties of lipid bilayers enriched by cholesteryl hemisuccinate.
W. Kulig, P. Jurkiewicz, A. Olżyńska, Joona Tynkkynen +6 more
2015Biochimica et Biophysica Acta52 citations Open access
Semantic Scholar
The glycine arginine‐rich domain of the RNA‐binding protein nucleolin regulates its subcellular localization
Ella Doron-Mandel, I. Koppel, O. Abraham, Ida Rishal +20 more
2021EMBO Journal47 citations Open access
Semantic Scholar
Transmembrane Potential Modeling: Comparison between Methods of Constant Electric Field and Ion Imbalance.
Josef Melcr, D. Bonhenry, Štěpán Timr, P. Jungwirth
2016Journal of Chemical Theory and Computation47 citations
Semantic Scholar
Improved Cation Binding to Lipid Bilayer with Negatively Charged POPS by Effective Inclusion of Electronic Polarization.
Josef Melcr, Tiago Mendes Ferreira, P. Jungwirth, O. H. Samuli Ollila
2019Journal of Chemical Theory and Computation38 citations Open access
Semantic Scholar
Sweet taste of heavy water
Natalie Ben Abu, P. Mason, Hadar Klein, Nitzan Dubovski +10 more
2020bioRxiv36 citations Open access
Semantic Scholar
Two cations, two mechanisms: interactions of sodium and calcium with zwitterionic lipid membranes.
Matti Javanainen, Adéla Melcrová, A. Magarkar, P. Jurkiewicz +3 more
2017Chemical Communications36 citations Open access
Semantic Scholar
Binding of divalent cations to acetate: molecular simulations guided by Raman spectroscopy.
Denilson Mendes de Oliveira, Samual R. Zukowski, V. Palivec, J. Hénin +4 more
2020Physical Chemistry, Chemical Physics - PCCP35 citations Open access
Semantic Scholar
Can Arginine Inhibit Insulin Aggregation? A Combined Protein Crystallography, Capillary Electrophoresis, and Molecular Simulation Study.
K. Brezina, E. Duboué-Dijon, V. Palivec, J. Jiráček +5 more
2018Journal of Physical Chemistry B33 citations Open access
Semantic Scholar
Increased Binding of Calcium Ions at Positively Curved Phospholipid Membranes.
A. Magarkar, P. Jurkiewicz, Christoph Allolio, M. Hof +1 more
2017Journal of Physical Chemistry Letters32 citations
Semantic Scholar
Ionic Strength and Solution Composition Dictate the Adsorption of Cell-Penetrating Peptides onto Phosphatidylcholine Membranes
M. Nguyen, Denys Biriukov, Carmelo Tempra, Katarína L. Baxová +8 more
2022Langmuir29 citations Open access
Semantic Scholar
Common Cations Are Not Polarizable: Effects of Dispersion Correction on Hydration Structures from Ab Initio Molecular Dynamics
Vojtech Kostal, P. Mason, Hector Martinez-Seara, P. Jungwirth
2023Journal of Physical Chemistry Letters27 citations Open access
Semantic Scholar
Tail-Oxidized Cholesterol Enhances Membrane Permeability for Small Solutes
A. Olżyńska, W. Kulig, H. Mikkolainen, Tomasz Czerniak +6 more
2020Langmuir27 citations Open access
Semantic Scholar
Valence and Core-Level X-ray Photoelectron Spectroscopy of a Liquid Ammonia Microjet
T. Buttersack, P. Mason, Ryan S. McMullen, T. Martinek +11 more
2019Journal of the American Chemical Society26 citations Open access
Semantic Scholar
Bobbing of Oxysterols: Molecular Mechanism for Translocation of Tail-Oxidized Sterols through Biological Membranes.
W. Kulig, H. Mikkolainen, A. Olżyńska, P. Jurkiewicz +5 more
2018Journal of Physical Chemistry Letters26 citations Open access
Semantic Scholar
Effects of Water Deuteration on Thermodynamic and Structural Properties of Proteins and Biomembranes
Carmelo Tempra, V. C. Chamorro, P. Jungwirth
2023Journal of Physical Chemistry B25 citations Open access
Semantic Scholar
Size and Origins of Long-Range Orientational Water Correlations in Dilute Aqueous Salt Solutions.
Eva Pluhařová, D. Laage, P. Jungwirth
2017Journal of Physical Chemistry Letters24 citations Open access
Semantic Scholar
Guanidinium Pairing Facilitates Membrane Translocation.
Christoph Allolio, Katarína L. Baxová, M. Vazdar, P. Jungwirth
2016Journal of Physical Chemistry B24 citations
Semantic Scholar
Nonaqueous Ion Pairing Exemplifies the Case for Including Electronic Polarization in Molecular Dynamics Simulations
Vojtech Kostal, P. Jungwirth, Hector Martinez-Seara
2023Journal of Physical Chemistry Letters23 citations Open access
Semantic Scholar
Ion-Induced Long-Range Orientational Correlations in Water: Strong or Weak, Physiologically Relevant or Unimportant, and Unique to Water or Not?
P. Jungwirth, D. Laage
2018Journal of Physical Chemistry Letters23 citations
Semantic Scholar
Anomalous Protein-Protein Interactions in Multivalent Salt Solution.
Coralie Pasquier, M. Vazdar, J. Forsman, P. Jungwirth +1 more
2017Journal of Physical Chemistry B23 citations Open access
Semantic Scholar
Spectroscopic evidence for a gold-coloured metallic water solution
P. Mason, H. C. Schewe, T. Buttersack, Vojtech Kostal +11 more
2021Nature20 citations
Semantic Scholar
Quantifying the Strength of a Salt Bridge by Neutron Scattering and Molecular Dynamics.
P. Mason, P. Jungwirth, E. Duboué-Dijon
2019Journal of Physical Chemistry Letters20 citations Open access
Semantic Scholar
Simulation of Raman and Raman optical activity of saccharides in solution.
V. Palivec, V. Kopecký, P. Jungwirth, P. Bouř +2 more
2020Physical Chemistry, Chemical Physics - PCCP19 citations Open access
Semantic Scholar
Dependence of the Rate of LiF Ion-Pairing on the Description of Molecular Interaction.
Eva Pluhařová, Marcel D. Baer, G. Schenter, P. Jungwirth +1 more
2016Journal of Physical Chemistry B18 citations
Semantic Scholar
Membrane Binding of Recoverin: From Mechanistic Understanding to Biological Functionality
Štěpán Timr, R. Pleskot, J. Kadlec, Miriam Kohagen +2 more
2017ACS Central Science17 citations Open access
Semantic Scholar
Computational and structural evidence for neurotransmitter-mediated modulation of the oligomeric states of human insulin in storage granules
V. Palivec, C. Viola, M. Kozak, T. Ganderton +7 more
2017Journal of Biological Chemistry17 citations Open access
Semantic Scholar
Changes in the hydration structure of imidazole upon protonation: Neutron scattering and molecular simulations
E. Duboué-Dijon, P. Mason, H. Fischer, P. Jungwirth
201716 citations Open access
Semantic Scholar

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