Charge Regulation Effects in Nanoparticle Self-Assembly

Grand-Reaction Method for Simulations of Ionization Equilibria Coupled to Ion Partitioning

(2020) Jonas Landsgesell et al.   MACROMOLECULES

Charge Regulation of Colloidal Particles: Theory and Simulations

(2019) Amin Bakhshandeh et al.   PHYSICAL REVIEW LETTERS

Electrostatic Interactions in Protein Structure, Folding, Binding, and Condensation

(2018) Huan-Xiang Zhou et al.   CHEMICAL REVIEWS

General theory of charge regulation and surface differential capacitance

(2018) Rudolf Podgornik   JOURNAL OF CHEMICAL PHYSICS

Local pH and Effective pK of a Polyelectrolyte Chain: Two Names for One Quantity?

(2018) Anastasiia Murmiliuk et al.   ACS Macro Letters

Accurate and efficient numerical simulation of dielectrically anisotropic particles

(2018) Huanxin Wu et al.   JOURNAL OF CHEMICAL PHYSICS

Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems

(2017) Brian K. Radak et al.   Journal of Chemical Theory and Computation

Self-Assembly of Colloidal Nanocrystals: From Intricate Structures to Functional Materials

(2016) Michael A. Boles et al.   CHEMICAL REVIEWS

Charge regulation: A generalized boundary condition?

(2016) Tomer Markovich et al.   EPL

All-Atom Continuous Constant pH Molecular Dynamics With Particle Mesh Ewald and Titratable Water

(2016) Yandong Huang et al.   Journal of Chemical Theory and Computation

Self-Assembly of One-Dimensional Nanocrystal Superlattice Chains Mediated by Molecular Clusters

(2016) Xianfeng Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Charge Regulation in the Electrical Double Layer: Ion Adsorption and Surface Interactions

(2015) Gregor Trefalt et al.   LANGMUIR

Long-Ranged Oppositely Charged Interactions for Designing New Types of Colloidal Clusters

(2015) Ahmet Faik Demirörs et al.   Physical Review X

Efficient and accurate simulation of dynamic dielectric objects

(2014) Kipton Barros et al.   JOURNAL OF CHEMICAL PHYSICS

Recent development and application of constant pH molecular dynamics

(2014) Wei Chen et al.   MOLECULAR SIMULATION

Dielectric Effects in the Self-Assembly of Binary Colloidal Aggregates

(2014) Kipton Barros et al.   PHYSICAL REVIEW LETTERS

Ion-activated attractive patches as a mechanism for controlled protein interactions

(2014) Felix Roosen-Runge et al.   Scientific Reports

Using collective variables to drive molecular dynamics simulations

(2013) Giacomo Fiorin et al.   MOLECULAR PHYSICS

Charge regulation in biomolecular solution

(2013) Mikael Lund et al.   QUARTERLY REVIEWS OF BIOPHYSICS

A semi-grand canonical Monte Carlo simulation model for ion binding to ionizable surfaces: Proton binding of carboxylated latex particles as a case study

(2011) Sergio Madurga et al.   JOURNAL OF CHEMICAL PHYSICS

Interactions Between Charged Surfaces with Ionizable Sites

(2011) Stephen A. Barr et al.   LANGMUIR

Importance of Charge Regulation in Attractive Double-Layer Forces between Dissimilar Surfaces

(2010) Ionel Popa et al.   PHYSICAL REVIEW LETTERS

Self-organization of grafted polyelectrolyte layers via the coupling of chemical equilibrium and physical interactions

(2010) M. Tagliazucchi et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Polyelectrolyte–protein complexation driven by charge regulation

(2009) Fernando Luís Barroso da Silva et al.   Soft Matter