Does fluoride disrupt hydrogen bond network in cationic lipid bilayer? Time-dependent fluorescence shift of Laurdan and molecular dynamics simulations

Interactions of beta-blockers with model lipid membranes: Molecular view of the interaction of acebutolol, oxprenolol, and propranolol with phosphatidylcholine vesicles by time-dependent fluorescence shift and molecular dynamics simulations

(2014) Gesche Först et al.   EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS

Ab Initio Path Integral Simulations for the Fluoride Ion–Water Clusters: Competitive Nuclear Quantum Effect Between F––Water and Water–Water Hydrogen Bonds

(2013) Yukio Kawashima et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Interactions of monovalent salts with cationic lipid bilayers

(2012) Sarka Pokorna et al.   FARADAY DISCUSSIONS

Effect of heavy water on phospholipid membranes: experimental confirmation of molecular dynamics simulations

(2012) Lenka Beranová et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structure, dynamics, and hydration of POPC/POPS bilayers suspended in NaCl, KCl, and CsCl solutions

(2011) Piotr Jurkiewicz et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Lipid hydration and mobility: An interplay between fluorescence solvent relaxation experiments and molecular dynamics simulations

(2011) P. Jurkiewicz et al.   BIOCHIMIE

Polar solvation dynamics in water and methanol: search for molecularity

(2011) Mohsen Sajadi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Numerical studies of the membrane fluorescent dyes dynamics in ground and excited states

(2010) Justyna Barucha-Kraszewska et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Efficient ab initio path integral hybrid Monte Carlo based on the fourth-order Trotter expansion: Application to fluoride ion-water cluster

(2010) Kimichi Suzuki et al.   JOURNAL OF CHEMICAL PHYSICS

Mechanism of Interaction of Monovalent Ions with Phosphatidylcholine Lipid Membranes

(2010) Robert Vácha et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Monitoring Biophysical Properties of Lipid Membranes by Environment-Sensitive Fluorescent Probes

(2009) Alexander P. Demchenko et al.   BIOPHYSICAL JOURNAL

Rational design of ion force fields based on thermodynamic solvation properties

(2009) Dominik Horinek et al.   JOURNAL OF CHEMICAL PHYSICS

Liquid Expanded Monolayers of Lipids As Model Systems to Understand the Anionic Hofmeister Series: 2. Ion Partitioning Is Mostly a Matter of Size

(2009) E. Leontidis et al.   JOURNAL OF PHYSICAL CHEMISTRY B

What are the Sites Water Occupies at the Interface of a Phospholipid Membrane?†

(2009) Victor V. Volkov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Does the Dynamic Stokes Shift Report on Slow Protein Hydration Dynamics?

(2009) Bertil Halle et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Water Isotope Effect on the Phosphatidylcholine Bilayer Properties: A Molecular Dynamics Simulation Study

(2009) Tomasz Róg et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structural Dynamics of Aqueous Salt Solutions

(2008) H. J. Bakker   CHEMICAL REVIEWS

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation