The QM/MM simulation method is provenly efficient for the simulation of biological systems,
where an interplay of extensive environment and delicate local interactions drives a process …

The pioneering work on liposomes in the 1960s and subsequent research in controlled drug
release systems significantly advances the development of nanocarriers (NCs) for drug …

The conjugation of high-affinity cRGD-containing peptides is a promising approach in
nanomedicine to efficiently reduce off-targeting effects and enhance the cellular uptake by …

Inorganic nanoparticles (NPs) are gaining increasing attention in nanomedicine because of
their stimuli responsiveness, which allows combining therapy with diagnosis. However, little …

Atomistic details on the mechanism of targeting activity by biomedical nanodevices of
specific receptors are still scarce in the literature, where mostly ligand/receptor pairs are …

Active targeting strategies have been proposed to enhance the selective uptake of
nanoparticles (NPs) by diseased cells, and recent experimental findings have proven the …

We used molecular dynamics simulations to investigate the adsorption behavior of single-
stranded deoxyribonucleic acid (ssDNA) segments on the anatase (101) surface. Four …

Inorganic nanoparticles are gaining increasing attention as drug carriers because they
respond to external physical stimuli, allowing therapy to be combined with diagnosis. Their …

We used molecular dynamics simulations to investigate the adsorption behavior of single-
stranded deoxyribonucleic acid (ssDNA) segments on the anatase (101) surface. Four …