P4-ATPases (flippases) translocate specific phospholipids such as phosphatidylserine from the exoplasmic leaflet of the cell membrane to the cytosolic leaflet, upholding an essential membrane asymmetry. The mechanism of flipping this giant substrate has re ...
We present herein a thorough description of the effects of high glucose concentrations on the diffusion, hydration and internal dynamics of ubiquitin, as predicted from extensive molecular dynamics simulations on several systems described at fully atomisti ...
The selectivity and speed of many biological transport processes(1) transpire from a 'reduction of dimensionality'(2) that confines diffusion to one or two dimensions instead of three(3). This behaviour remains highly sought after on polymeric surfaces(4) ...
The Mg/Ca ratio of Foraminifera calcium carbonate tests is used as proxy for seawater temperature and widely applied to reconstruct global paleo-climatic changes. However, the mechanisms involved in the carbonate biomineralization process are poorly unders ...
We have investigated the mechanism of proton transfer in the lowest photoexcited state of 7-hydroxyquinoline·(NH3)3 using TDDFT based molecular dynamics. We observe a concerted mechanism according to which all protons are transferred simultaneously in a fa ...
Functional evidence suggests that neuronal enriched endosomal protein of 21 kDa (NEEP21) takes part in facilitating transport of AMPA receptors (AMPAR) in the synapse. To explore the anatomical basis for a role in this synaptic trafficking, we investigated ...
