Cholesterol is a key regulator of membrane biophysical properties, yet its role in modulating cell-penetrating peptide (CPP) translocation remains incompletely understood. Here, weighted ensemble molecular dynamics simulations were employed to …
Recent experiments have shown that incorporating polyproline segments into arginine (R)-rich cell-penetrating peptides (CPPs) enhances membrane penetration. Here, we employ molecular dynamics (MD) simulations combined with the weighted ensemble …
Carbon nanotubes (CNTs) have been widely explored for applications ranging from drug delivery to energy conversion. To evaluate their potential as drug-delivery agents, it is essential to understand the molecular mechanisms governing their …
Recent experiments have shown that incorporating polyproline segments into arginine (R)–rich cell-penetrating peptides (CPPs) markedly enhances their membrane penetration. To elucidate the molecular basis of this effect, we designed a …
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 …