The electrostatics of solvent and membrane interfaces and the role of electronic polarizability

Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field

(2010) Haibo Yu et al.   Journal of Chemical Theory and Computation

Molecular Dynamics Simulations of a DMPC Bilayer Using Nonadditive Interaction Models

(2009) Joseph E. Davis et al.   BIOPHYSICAL JOURNAL

Effect of headgroup on the dipole potential of phospholipid vesicles

(2009) Thomas Starke-Peterkovic et al.   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Charge Equilibration Force Fields for Lipid Environments: Applications to Fully Hydrated DPPC Bilayers and DMPC-Embedded Gramicidin A

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

Surface Potential at the Air−Water Interface Computed Using Density Functional Theory

(2009) Kevin Leung   Journal of Physical Chemistry Letters

Electronic Effects on the Surface Potential at the Vapor−Liquid Interface of Water

(2009) Shawn M. Kathmann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Free Energy for the Permeation of Na+and Cl−Ions and Their Ion-Pair through a Zwitterionic Dimyristoyl Phosphatidylcholine Lipid Bilayer by Umbrella Integration with Harmonic Fourier Beads

(2009) Ilja V. Khavrutskii et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Many-Body Polarization Effects and the Membrane Dipole Potential

(2009) Edward Harder et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Probing the Lipid Membrane Dipole Potential by Atomic Force Microscopy

(2008) Yi Yang et al.   BIOPHYSICAL JOURNAL

On the origin of the electrostatic potential difference at a liquid-vacuum interface

(2008) Edward Harder et al.   JOURNAL OF CHEMICAL PHYSICS

Biomolecular simulations of membranes: Physical properties from different force fields

(2008) Shirley W. I. Siu et al.   JOURNAL OF CHEMICAL PHYSICS

Assessing Atomistic and Coarse-Grained Force Fields for Protein−Lipid Interactions: the Formidable Challenge of an Ionizable Side Chain in a Membrane

(2008) Igor Vorobyov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Comparison of the Solvation Structure of Polarizable and Nonpolarizable Ions in Bulk Water and Near the Aqueous Liquid−Vapor Interface

(2008) G. Lee Warren et al.   Journal of Physical Chemistry C

Electronic Effects on the Surface Potential at the Vapor−Liquid Interface of Water

(2008) Shawn M. Kathmann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY