Polymer and lipid nanoparticles have been extensively used as carriers to address the
biological barriers encountered in siRNA and mRNA delivery. We summarize the crucial role …

The high frequency of using engineered nanoparticles in various medical applications
entails a deep understanding of their interaction with biological macromolecules. Molecular …

Chemotherapy is commonly associated with limited effectiveness and unwanted side effects
in normal cells and tissues, due to the lack of specificity of therapeutic agents to cancer cells …

This article recapitulates the state of the art regarding simulations of ionization equilibria of
weak polyelectrolyte solutions and gels. We start out by reviewing the essential …

Complexation between multiple weak polyacid chains and a positively charged spherical
nanoparticle has been studied by means of Monte Carlo simulations. By considering titration …

The complexation between a charged nanoparticle and an oppositely charged linear
polyelectrolyte is studied using coarse-grained Semi-Grand Canonical Monte Carlo …

This work addresses the role of charge regulation (CR) and the associated fluctuations in
the conformational and mechanical properties of weak polyelectrolytes. Due to CR, changes …

The preparation of stimuli-responsive metal nanoparticles is a key challenge in developing
smart multifunctional nanoscale devices. The efficient strategy relies on coating of …

Systems comprised of polyelectrolytes and charged nanoparticles are of great technological
interest, being common components in formulations among other uses. The colloidal …

Molecular dynamics has been employed to study conformational changes of polyampholytic
polypeptides on the surface of a spherical gold nanoparticle at different surface charge …