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Building asymmetric lipid bilayers for molecular dynamics simulations: What methods exist and how to choose one?
The compositional asymmetry of biological membranes has attracted significant attention
over the last decade. Harboring more differences from symmetric membranes than …
over the last decade. Harboring more differences from symmetric membranes than …
[HTML][HTML] Model membrane systems used to study plasma membrane lipid asymmetry
It is well known that the lipid distribution in the bilayer leaflets of mammalian plasma
membranes (PMs) is not symmetric. Despite this, model membrane studies have largely …
membranes (PMs) is not symmetric. Despite this, model membrane studies have largely …
[HTML][HTML] Molecular dynamics simulations of drug-conjugated cell-penetrating peptides
Cell-penetrating peptides (CPPs) are small peptides capable of translocating through
biological membranes carrying various attached cargo into cells and even into the nucleus …
biological membranes carrying various attached cargo into cells and even into the nucleus …
Unraveling the molecular mechanisms of membrane rupture: Insights from all-atom simulations and theoretical modeling
Cell membrane rupture occurs universally and is long thought to be the terminal event of cell
death; however, there is an inadequate understanding of the microscopic mechanisms of …
death; however, there is an inadequate understanding of the microscopic mechanisms of …
[HTML][HTML] Exploring membrane binding targets of disordered human tau aggregates on lipid rafts using multiscale molecular dynamics simulations
The self-aggregation of tau, a microtubule-binding protein, has been linked to the onset of
Alzheimer's Disease. Recent studies indicate that the disordered tau aggregates, or …
Alzheimer's Disease. Recent studies indicate that the disordered tau aggregates, or …
[HTML][HTML] The Influence of Cholesterol on Membrane Targeted Bioactive Peptides: Modulating Peptide Activity Through Changes in Bilayer Biophysical Properties
Cholesterol is a biological molecule that is essential for cellular life. It has unique features in
terms of molecular structure and function, and plays an important role in determining the …
terms of molecular structure and function, and plays an important role in determining the …
Effects of gastrointestinal digestion on the cell bioavailability of sodium alginate coated liposomes containing DPP-IV inhibition active collagen peptides
P Wu, Y Yuan, L Chen, M Chen, BS Chiou, F Liu… - Food Bioscience, 2023 - Elsevier
Delivery matrices in foods need to be carefully designed for optimal delivery and to ensure
that beneficial compounds are subsequently absorbed in the gut. It has been found that …
that beneficial compounds are subsequently absorbed in the gut. It has been found that …
Lipid domain boundary triggers membrane damage and protein folding of human islet amyloid polypeptide in the early pathogenesis of amyloid diseases
The misfolding and self-aggregation of human Islet Amyloid Polypeptide (hIAPP) are linked
to the onset of type 2 diabetes (T2D). However, the mechanism of how the disordered hIAPP …
to the onset of type 2 diabetes (T2D). However, the mechanism of how the disordered hIAPP …
Impact of increased membrane realism on conformational sampling of proteins
The realism and accuracy of lipid bilayer simulations through molecular dynamics (MD) are
heavily dependent on the lipid composition. While the field is pushing toward implementing …
heavily dependent on the lipid composition. While the field is pushing toward implementing …
Multiscale modeling of macromolecular interactions between tau-amylin oligomers and asymmetric lipid nanodomains that link Alzheimer's and diabetic diseases
The molecular events of protein misfolding and self-aggregation of tau and amylin are
associated with the progression of Alzheimer's and diabetes, respectively. Recent studies …
associated with the progression of Alzheimer's and diabetes, respectively. Recent studies …