Excluded volume and ion-ion correlation effects on the ionic atmosphere around B-DNA: Theory, simulations, and experiments

Ion Counting from Explicit-Solvent Simulations and 3D-RISM

(2014) George M. Giambaşu et al.   BIOPHYSICAL JOURNAL

Ionic asymmetry and solvent excluded volume effects on spherical electric double layers: A density functional approach

(2014) Bharat Medasani et al.   JOURNAL OF CHEMICAL PHYSICS

Sensitivities to parameterization in the size-modified Poisson-Boltzmann equation

(2014) Robert C. Harris et al.   JOURNAL OF CHEMICAL PHYSICS

Application of zero-dipole summation method to molecular dynamics simulations of a membrane protein system

(2013) Narutoshi Kamiya et al.   CHEMICAL PHYSICS LETTERS

Ionic size dependent electroosmosis in ion-selective microchannels and nanochannels

(2013) Aditya Bandopadhyay et al.   ELECTROPHORESIS

An exact method to obtain effective electrostatic interactions from computer simulations: The case of effective charge amplification

(2013) P. González-Mozuelos et al.   JOURNAL OF CHEMICAL PHYSICS

Effective electrostatic interactions arising in core-shell charged microgel suspensions with added salt

(2013) A. Moncho-Jordá et al.   JOURNAL OF CHEMICAL PHYSICS

A classical density-functional theory for describing water interfaces

(2013) Jessica Hughes et al.   JOURNAL OF CHEMICAL PHYSICS

Enhancing and reversing the electric field at the oil–water interface with size-asymmetric monovalent ions

(2013) Guillermo Iván Guerrero-García et al.   Soft Matter

Salt contribution to the flexibility of single-stranded nucleic acid of finite length

(2012) Feng-Hua Wang et al.   BIOPOLYMERS

Computer simulation of sedimentation of ionic systems using the Wolf method

(2012) P. X. Viveros-Méndez et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics simulation of the spherical electrical double layer of a soft nanoparticle: Effect of the surface charge and counterion valence

(2012) Miroslava Nedyalkova et al.   JOURNAL OF CHEMICAL PHYSICS

A close look into the excluded volume effects within a double layer

(2012) Derek Frydel et al.   JOURNAL OF CHEMICAL PHYSICS

Inversion of the Electric Field at the Electrified Liquid–Liquid Interface

(2012) Guillermo Iván Guerrero-García et al.   Journal of Chemical Theory and Computation

Competitive Binding of Cations to Duplex DNA Revealed through Molecular Dynamics Simulations

(2012) Jejoong Yoo et al.   JOURNAL OF PHYSICAL CHEMISTRY B

SAXS Studies of Ion–Nucleic Acid Interactions

(2011) Lois Pollack   Annual Review of Biophysics

Potential of mean force between identical charged nanoparticles immersed in a size-asymmetric monovalent electrolyte

(2011) Guillermo Iván Guerrero-García et al.   JOURNAL OF CHEMICAL PHYSICS

Entropic effects in the electric double layer of model colloids with size-asymmetric monovalent ions

(2011) Guillermo Iván Guerrero-García et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics scheme for precise estimation of electrostatic interaction via zero-dipole summation principle

(2011) Ikuo Fukuda et al.   JOURNAL OF CHEMICAL PHYSICS

A Fast and Robust Poisson–Boltzmann Solver Based on Adaptive Cartesian Grids

(2011) Alexander H. Boschitsch et al.   Journal of Chemical Theory and Computation

Effect of Ionic Size on the Structure of Cylindrical Electric Double Layers: A Systematic Study by Monte Carlo Simulations and Density Functional Theory

(2011) Teena Goel et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Theoretical Assessment of the Oligolysine Model for Ionic Interactions in Protein–DNA Complexes

(2011) Marcia O. Fenley et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Coulomb interactions in charged fluids

(2011) Graziano Vernizzi et al.   PHYSICAL REVIEW E

Electrostatics of Strongly Charged Biological Polymers: Ion-Mediated Interactions and Self-Organization in Nucleic Acids and Proteins

(2010) Gerard C.L. Wong et al.   Annual Review of Physical Chemistry

Revisiting the Association of Cationic Groove-Binding Drugs to DNA Using a Poisson-Boltzmann Approach

(2010) Marcia O. Fenley et al.   BIOPHYSICAL JOURNAL

Three component model of cylindrical electric double layers containing mixed electrolytes: A systematic study by Monte Carlo simulations and density functional theory

(2010) Teena Goel et al.   JOURNAL OF CHEMICAL PHYSICS

An efficient algorithm for classical density functional theory in three dimensions: Ionic solutions

(2010) Matthew G. Knepley et al.   JOURNAL OF CHEMICAL PHYSICS

Computational Exploration of Mobile Ion Distributions around RNA Duplex

(2010) Serdal Kirmizialtin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Ion and Solvent Density Distributions around Canonical B-DNA from Integral Equations

(2010) Jesse J. Howard et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Counting Ions around DNA with Anomalous Small-Angle X-ray Scattering

(2010) Suzette A. Pabit et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Interpreting protein/DNA interactions: distinguishing specific from non-specific and electrostatic from non-electrostatic components

(2010) P. L. Privalov et al.   NUCLEIC ACIDS RESEARCH

Effects of the ionic size-asymmetry around a charged nanoparticle: unequal charge neutralization and electrostatic screening

(2010) Guillermo Iván Guerrero-García et al.   Soft Matter

Monte Carlo simulations of the electrical double layer forces in the presence of divalent electrolyte solutions: effect of the ion size

(2010) Alberto Martín-Molina et al.   Soft Matter

Effect of mixing and spatial dimension on the glass transition

(2009) David Hajnal et al.   PHYSICAL REVIEW E

Molecular solvent model of cylindrical electric double layers: A systematic study by Monte Carlo simulations and density functional theory

(2008) Teena Goel et al.   JOURNAL OF CHEMICAL PHYSICS