Recent experimental studies have demonstrated that incorporating polyproline segments into arginine (R)‑rich cell‑penetrating peptides (CPPs) enhances their membrane penetration efficiency. To investigate this effect, we designed a …
Carbon nanotubes (CNTs) have been utilized in various applications, including drug delivery and energy conversion. It is essential to elucidate the underlying transport mechanism across cell membranes to understand their role as drug-delivery agents. …
It is well-known that membrane deformation and water pores contribute to the spontaneous translocation of arginine-rich cell-penetrating peptides (CPPs). We confirm this through the observation of the spontaneous translocation of single R9 …
Observing the spontaneous translocation of cell-penetrating peptides across a lipid bilayer in molecular dynamics simulations is challenging. However, in this study, we have successfully demonstrated the spontaneous translocation of Arg9 …
Our findings demonstrate the occurrence of self-induced translocation of a specific cell-penetrating peptide (CPP) across a model membrane through the utilization of the weighted ensemble (WE) approach. Furthermore, our investigation highlights the …
Translating cargoes like nanoparticles (NP) and macromolecules like DNA and RNA across the model membrane through different cell-penetrating peptides (CPPs) has been the point of research for the last few years. Electroporation is a technique to …
We report spontaneous translocation of a single cell-penetrating peptide (CPP) across a model membrane using the weighted ensemble (WE) method within the molecular dynamics (MD) simulations approach. Furthermore, we show that a water pore plays a …
It is difficult to observe a spontaneous translocation of cell-penetrating peptides(CPPs) within a short time scale (e.g., a few hundred ns) in all-atom molecular dynamics(MD) simulations because the time required for the translocation of usual CPPs …
In this study, we report a single Arg9(R9) peptide translocation across a DOPC/DOPG(4:1) model membrane within an order of a few tens ns scale by using the weighted ensemble(WE) method. We identify how water molecules play a role during the …
A spontaneous translocation of cell-penetrating peptides(CPPs) in all-atom molecular dynamics(MD) simulations is not expected within a short time scale (e.g., a few hundred ns) because it is believed that the time required for the translocation of …