The transport mechanism of cell-penetrating peptides (CPPs) has not been fully understood and there seems no general rule to design more efficient CPPs. Recent experimental results show that a polyproline-containing arginine-rich peptide efficiently …
It has been known that the uptake mechanisms of cell-penetrating peptides (CPPs) depend on the experimental conditions such as the concentration of peptides, lipid composition, and temperature. In this study, we investigate the temperature dependence …
Secondary active transporters, such as those that adopt the leucine-transporter fold, are found in all domains of life, and they have the unique capability of harnessing the energy stored in ion gradients to accumulate small molecules essential for …
Sodium-glucose transporters (SGLTs) facilitate the movement of water across the cell membrane, playing a central role in cellular homeostasis. Here, we present a detailed analysis of the mechanism of water permeation through the inward-facing state …
In human kidneys, the glomeruli filter about 54 g of urea from the blood each day and approximately 12-14 g of which is reabsorbed in the proximal tubule that is believed to be devoid of urea channels or uniporters. Experimental evidence suggests …
Sodium-glucose transporters (SGLTs) mediate sugar transport as well as water flow across the cell membrane. Using a series of long molecular dynamics simulations generated on the special-purpose Anton supercomputer totaling nearly 16 microseconds in …
We report the results from 16 microseconds of molecular dynamics (MD) simulations carried out on vSGLT using the Anton supercomputer at the Pittsburgh Supercomputing Center. We observed multiple galactose unbinding events as well as instances in …
It is well accepted that cotransporters facilitate water movement by two independent mechanisms: osmotic flow through a water channel in the protein and flow driven by ion/substrate cotransport. However, the molecular mechanism of transport-linked …
Membrane co-transport proteins that use a five-helix inverted repeat motif have recently emerged as one of the largest structural classes of secondary active transporters1,2. However, despite many structural advances there is no clear evidence of how …
It is well accepted that cotransporters facilitate water movement by two independent mechanisms: osmotic flow through a water channel in the protein and flow driven by ion/substrate cotransport. However, the molecular mechanism of transport-linked …