Regulation of membrane protein structure and function by their lipid nano-environment

I Levental, E Lyman - Nature Reviews Molecular Cell Biology, 2023 - nature.com
Transmembrane proteins comprise~ 30% of the mammalian proteome, mediating
metabolism, signalling, transport and many other functions required for cellular life. The …

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 …

Prebiotic peptides: Molecular hubs in the origin of life

M Frenkel-Pinter, M Samanta, G Ashkenasy… - Chemical …, 2020 - ACS Publications
The fundamental roles that peptides and proteins play in today's biology makes it almost
indisputable that peptides were key players in the origin of life. Insofar as it is appropriate to …

Computational modeling of realistic cell membranes

SJ Marrink, V Corradi, PCT Souza, HI Ingolfsson… - Chemical …, 2019 - ACS Publications
Cell membranes contain a large variety of lipid types and are crowded with proteins,
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …

Anionic phospholipids control mechanisms of GPCR-G protein recognition

N Thakur, AP Ray, L Sharp, B **, A Duong… - Nature …, 2023 - nature.com
G protein-coupled receptors (GPCRs) are embedded in phospholipids that strongly
influence drug-stimulated signaling. Anionic lipids are particularly important for GPCR …

Glycosphingolipid synthesis mediates immune evasion in KRAS-driven cancer

M Soula, G Unlu, R Welch, A Chudnovskiy, B Uygur… - Nature, 2024 - nature.com
Cancer cells frequently alter their lipids to grow and adapt to their environment,–. Despite
the critical functions of lipid metabolism in membrane physiology, signalling and energy …

Protein–ligand binding with the coarse-grained Martini model

PCT Souza, S Thallmair, P Conflitti… - Nature …, 2020 - nature.com
The detailed understanding of the binding of small molecules to proteins is the key for the
development of novel drugs or to increase the acceptance of substrates by enzymes …

Phospholipids and cholesterol: Inducers of cancer multidrug resistance and therapeutic targets

J Kopecka, P Trouillas, AČ Gašparović… - Drug Resistance …, 2020 - Elsevier
Lipids, phospholipids and cholesterol in particular, are the predominant components of the
plasma membrane, wherein multidrug efflux transporters of the ATP-binding cassette (ABC) …

Martini 3 coarse-grained force field for cholesterol

L Borges-Araújo, AC Borges-Araújo… - Journal of Chemical …, 2023 - ACS Publications
Cholesterol plays a crucial role in biomembranes by regulating various properties, such as
fluidity, rigidity, permeability, and organization of lipid bilayers. The latest version of the …

Lipids mediate supramolecular outer membrane protein assembly in bacteria

MN Webby, AO Oluwole, C Pedebos, PG Inns… - Science …, 2022 - science.org
β Barrel outer membrane proteins (OMPs) cluster into supramolecular assemblies that give
function to the outer membrane (OM) of Gram-negative bacteria. How such assemblies form …