Nucleic acids generally reside in cellular aqueous solutions with mixed divalent/monovalent
ions, and the competitive binding of divalent and monovalent ions is critical to the structures …

Double-stranded DNA (dsDNA) and RNA (dsRNA) helices display an unusual structural
diversity. Some structural variations are linked to sequence and may serve as signaling units …

Polyethylenimine (PEI) is a highly studied vector for nonviral gene delivery, with a high
transfection efficiency that has been linked with its pH responsiveness. Atomistic molecular …

The ion atmosphere is a critical structural, dynamic, and energetic component of nucleic
acids that profoundly affects their interactions with proteins and ligands. Experimental …

The distribution of cations around nucleic acids is essential for a broad variety of processes
ranging from DNA condensation and RNA folding to the detection of biomolecules in …

Here, we examine polyelectrolyte (PE) and ion chemistry specificity in ion condensation via
all-atom molecular dynamics (MD) simulations and assess the ability of the Poisson …

Polyplexes composed of polyethyleneimine (PEI) and DNA or siRNA have attracted great
attention for their use in gene therapy. Although many physicochemical characteristics of …

The identity of metal ions surrounding DNA is key to its biological function and materials
applications. In this work, we compare atomistic molecular dynamics simulations of double …

The ionic atmospheres around nucleic acids play important roles in biological function.
Large-scale explicit solvent simulations coupled to experimental assays such as anomalous …

The hybrids of single-walled carbon nanotube (SWCNT) and single stranded DNA (ssDNA)
are novel nanoscale materials having remarkable applications in nanotechnology. The …