A gold nanoparticle (AuNP) conjugate formed with 11-mercaptoundecanoic acid (MUA) and
thiolated polyethylene glycol (SH-PEG) is simulated using dissipative particle dynamics …

Coarse-grained (CG) molecular dynamics (MD) simulations were carried out to investigate
the dynamics of 2.2 nm monolayer-protected gold nanoparticles (AuNPs) in solvents. The …

The self-assembling properties, stability, and dynamics of hybrid nanocarriers (gold
nanoparticles (AuNPs) functionalized with cysteine-based peptides) in solution are studied …

Dissipative particle dynamics (DPD) was carried out to study systems containing gold atoms,
organic ether (oligohydroquinonyl ether terminated with a thiol group) and organic solvents …

Functionalized gold nanoparticles have critical applications in biodetection with surface-
enhanced Raman spectrum and drug delivery. In this study, reactive force field molecular …

Gold nanoparticles (AuNPs) and poly (ethylene glycol)(PEG) are known to be safe,
biocompatible materials. In this study, AuNPs were conjugated with PEG ligands, and the …

In this study, we developed a coarse-grained model based on the dissipative particle
dynamics (DPD) method to investigate the aggregates of the cetyltrimethylammonium …

The functionalized gold nanoparticles (FGNPs) behaviour in biological environments is
completely altered by the presence of protein corona. Avoid its formation is required to …

We have developed a multiscale model that combines first-principles methods with atomistic
and mesoscopic simulations to explore the molecular structures and packing density of the …

Nanoparticles (NPs) show promising applications in biomedicine, catalysis, and energy
harvesting. This applicability relies on controlling the material's features at the nanometer …