Two decades of Martini: Better beads, broader scope

SJ Marrink, L Monticelli, MN Melo… - Wiley …, 2023 - Wiley Online Library
The Martini model, a coarse‐grained force field for molecular dynamics simulations, has
been around for nearly two decades. Originally developed for lipid‐based systems by the …

PyLipID: a python package for analysis of protein–lipid interactions from molecular dynamics simulations

W Song, RA Corey, TB Ansell, CK Cassidy… - Journal of Chemical …, 2022 - ACS Publications
Lipids play important modulatory and structural roles for membrane proteins. Molecular
dynamics simulations are frequently used to provide insights into the nature of these protein …

[HTML][HTML] Advances in membrane mimetics and mass spectrometry for understanding membrane structure and function

LH Urner - Current Opinion in Chemical Biology, 2022 - Elsevier
Membrane proteins and lipids play roles in regulating biological functions of cells. However,
the analysis of interactions between membrane proteins and lipids in biological membranes …

OPA1 helical structures give perspective to mitochondrial dysfunction

SB Nyenhuis, X Wu, MP Strub, YI Yim, AE Stanton… - Nature, 2023 - nature.com
Dominant optic atrophy is one of the leading causes of childhood blindness. Around 60–
80% of cases are caused by mutations of the gene that encodes optic atrophy protein 1 …

Martini-3 Coarse-Grained Models for the Bacterial Lipopolysaccharide Outer Membrane of Escherichia coli

R Vaiwala, KG Ayappa - Journal of Chemical Theory and …, 2023 - ACS Publications
The outer lipopolysaccharide (LPS) membrane of Gram-negative bacteria forms the main
barrier for transport of antimicrobial molecules into the bacterial cell. In this study we develop …

Rotation of the c‐Ring Promotes the Curvature Sorting of Monomeric ATP Synthases

D Valdivieso González, M Makowski, MP Lillo… - Advanced …, 2023 - Wiley Online Library
ATP synthases are proteins that catalyse the formation of ATP through the rotatory
movement of their membrane‐spanning subunit. In mitochondria, ATP synthases are found …

Regulation of bacterial two-component systems by cardiolipin

WS Yeo, S Dyzenhaus, VJ Torres… - Infection and …, 2023 - Am Soc Microbiol
The regulation of membrane protein activity for cellular functions is critically dependent on
the composition of phospholipid membranes. Cardiolipin, a unique phospholipid found in …

Systematic simulation of the interactions of pleckstrin homology domains with membranes

KIP Le Huray, H Wang, F Sobott, AC Kalli - Science Advances, 2022 - science.org
Pleckstrin homology (PH) domains can recruit proteins to membranes by recognition of
phosphatidylinositol phosphate (PIP) lipids. Several family members are linked to diseases …

Emerging Designs and Applications for Biomembrane Biosensors

E Selivanovitch, A Ostwalt, Z Chao… - Annual Review of …, 2024 - annualreviews.org
Nature has inspired the development of biomimetic membrane sensors in which the
functionalities of biological molecules, such as proteins and lipids, are harnessed for …

Supramolecular organisation and dynamics of mannosylated phosphatidylinositol lipids in the mycobacterial plasma membrane

CM Brown, RA Corey, Y Gao, YK Choi, M Gilleron… - Biophysical …, 2023 - cell.com
661-Pos Supramolecular organisation and dynamics of mannosylated phosphatidylinositol
lipids in the mycobacterial plasma membrane Chelsea M. Brown1, Robin A. Corey2, Ya …