Emilia L. Wu

TL;DR: The new features and major improvements in Membrane Builder that allow users to robustly build realistic biological membrane systems are described, including addition of new lipid types, including phosphoinositides, cardiolipin (CL), sphingolipids, bacterial lipids, and ergosterol.

TL;DR: Simulation results show that increasing the LPS molecular length has an impact on LPS structure and dynamics and also on L PS bilayer properties, and terminal residues in a LPS bilayer are more flexible and extended along the membrane normal.

TL;DR: The structural properties of a model of the Escherichia coli outer membrane and its interaction with outer membrane phospholipase A (OmpLA) utilizing molecular dynamics simulations are reported and it is demonstrated that the LPS/PL ratios in asymmetric bilayers can be reliably estimated by the per-lipid surface area of each lipid type.

TL;DR: The impact of different levels of heterogeneity in LPS environments on the structure and dynamics of OmpF using all-atom molecular dynamics simulations is reported and the importance of LPS core oligosaccharides in shielding OMPF surface epitopes recognized by monoclonal antibodies is established.

TL;DR: Evidence is presented that the conformational flexibility of the POTRA domain is modulated by binding to the periplasmic surface of a native lipid membrane, suggesting that conformational selection of different POTra domain conformations may be involved in the mechanism of BAM-facilitated insertion of outer membrane β-barrel proteins.