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Biological Water or Rather Water in Biology?

The journal of physical chemistry letters, 2015-07, Vol.6 (13), p.2449-2451

Jungwirth, Pavel

2015

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Charge Scaling Manifesto: A Way of Reconciling the Inherently Macroscopic and Microscopic Natures of Molecular Simulations

The journal of physical chemistry letters, 2019-12, Vol.10 (23), p.7531-7536

2019

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Mechanisms of Acceleration and Retardation of Water Dynamics by Ions

Journal of the American Chemical Society, 2013-08, Vol.135 (32), p.11824-11831

2013

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Ions at aqueous interfaces: from water surface to hydrated proteins

Annual review of physical chemistry, 2008-01, Vol.59 (1), p.343-366

2008

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Specific Ion Effects at the Air/Water Interface

Chemical reviews, 2006-04, Vol.106 (4), p.1259-1281

2006

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Accounting for Electronic Polarization Effects in Aqueous Sodium Chloride via Molecular Dynamics Aided by Neutron Scattering

The journal of physical chemistry. B, 2016-03, Vol.120 (8), p.1454-1460

2016

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Accurate Description of Calcium Solvation in Concentrated Aqueous Solutions

The journal of physical chemistry. B, 2014-07, Vol.118 (28), p.7902-7909

2014

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Electronic structure of the solvated benzene radical anion

The Journal of chemical physics, 2022-01, Vol.156 (1), p.014501-014501

2022

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Unraveling the Complex Nature of the Hydrated Electron

The journal of physical chemistry letters, 2012-10, Vol.3 (20), p.3071-3075

2012

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Arginine-rich cell-penetrating peptides induce membrane multilamellarity and subsequently enter via formation of a fusion pore

Proceedings of the National Academy of Sciences - PNAS, 2018-11, Vol.115 (47), p.11923-11928

2018

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Hydration numbers of biologically relevant divalent metal cations from ab initio molecular dynamics and continuum solvation methods

The Journal of chemical physics, 2024-02, Vol.160 (8)

2024

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Massive oxidation of phospholipid membranes leads to pore creation and bilayer disintegration

Chemical physics letters, 2010-02, Vol.486 (4), p.99-103

2010

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Hydration and Ion Pairing in Aqueous Mg2+ and Zn2+ Solutions: Force-Field Description Aided by Neutron Scattering Experiments and Ab Initio Molecular Dynamics Simulations

The journal of physical chemistry. B, 2018-04, Vol.122 (13), p.3296-3306

2018

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Modeling Photoionization of Aqueous DNA and Its Components

Accounts of chemical research, 2015-05, Vol.48 (5), p.1209-1217

2015

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Direct observation of the collapse of the delocalized excess electron in water

Nature chemistry, 2014-08, Vol.6 (8), p.697-701

2014

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Structure, Dynamics, and Reactivity of Hydrated Electrons by Ab Initio Molecular Dynamics

Accounts of chemical research, 2012-01, Vol.45 (1), p.23-32

2012

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Calcium ions in aqueous solutions: Accurate force field description aided by ab initio molecular dynamics and neutron scattering

The Journal of chemical physics, 2018-06, Vol.148 (22), p.222813-222813

2018

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Size and Origins of Long-Range Orientational Water Correlations in Dilute Aqueous Salt Solutions

The journal of physical chemistry letters, 2017-05, Vol.8 (9), p.2031-2035

2017

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Calcium Directly Regulates Phosphatidylinositol 4,5-Bisphosphate Headgroup Conformation and Recognition

Journal of the American Chemical Society, 2017-03, Vol.139 (11), p.4019-4024

2017

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Reversal of the Hofmeister Series: Specific Ion Effects on Peptides

The journal of physical chemistry. B, 2013-07, Vol.117 (27), p.8150-8158

2013

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Specific Ion Binding to Nonpolar Surface Patches of Proteins

Journal of the American Chemical Society, 2008-09, Vol.130 (35), p.11582-11583

2008

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Changes in the hydration structure of imidazole upon protonation: Neutron scattering and molecular simulations

The Journal of chemical physics, 2017-05, Vol.146 (18)

2017

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Oxidation Changes Physical Properties of Phospholipid Bilayers: Fluorescence Spectroscopy and Molecular Simulations

Langmuir, 2010-05, Vol.26 (9), p.6140-6144

2010

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Like-Charge Ion Pairing in Water: An Ab Initio Molecular Dynamics Study of Aqueous Guanidinium Cations

The journal of physical chemistry letters, 2012-08, Vol.3 (15), p.2021-2024

2012

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Anisotropic diffusion of membrane proteins at experimental timescales

The Journal of chemical physics, 2021-07, Vol.155 (1), p.015102-015102

2021

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Biological Water or Rather Water in Biology?

Charge Scaling Manifesto: A Way of Reconciling the Inherently Macroscopic and Microscopic Natures of Molecular Simulations

Mechanisms of Acceleration and Retardation of Water Dynamics by Ions

Ions at aqueous interfaces: from water surface to hydrated proteins

Specific Ion Effects at the Air/Water Interface

Accounting for Electronic Polarization Effects in Aqueous Sodium Chloride via Molecular Dynamics Aided by Neutron Scattering

Accurate Description of Calcium Solvation in Concentrated Aqueous Solutions

Electronic structure of the solvated benzene radical anion

Unraveling the Complex Nature of the Hydrated Electron

Arginine-rich cell-penetrating peptides induce membrane multilamellarity and subsequently enter via formation of a fusion pore

Hydration numbers of biologically relevant divalent metal cations from ab initio molecular dynamics and continuum solvation methods

Massive oxidation of phospholipid membranes leads to pore creation and bilayer disintegration

Hydration and Ion Pairing in Aqueous Mg2+ and Zn2+ Solutions: Force-Field Description Aided by Neutron Scattering Experiments and Ab Initio Molecular Dynamics Simulations

Modeling Photoionization of Aqueous DNA and Its Components

Direct observation of the collapse of the delocalized excess electron in water

Structure, Dynamics, and Reactivity of Hydrated Electrons by Ab Initio Molecular Dynamics

Calcium ions in aqueous solutions: Accurate force field description aided by ab initio molecular dynamics and neutron scattering

Size and Origins of Long-Range Orientational Water Correlations in Dilute Aqueous Salt Solutions

Calcium Directly Regulates Phosphatidylinositol 4,5-Bisphosphate Headgroup Conformation and Recognition

Reversal of the Hofmeister Series: Specific Ion Effects on Peptides

Specific Ion Binding to Nonpolar Surface Patches of Proteins

Changes in the hydration structure of imidazole upon protonation: Neutron scattering and molecular simulations

Oxidation Changes Physical Properties of Phospholipid Bilayers: Fluorescence Spectroscopy and Molecular Simulations

Like-Charge Ion Pairing in Water: An Ab Initio Molecular Dynamics Study of Aqueous Guanidinium Cations

Anisotropic diffusion of membrane proteins at experimental timescales

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