Two decades of Martini: Better beads, broader scope
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 …
been around for nearly two decades. Originally developed for lipid‐based systems by the …
Computational modeling of realistic cell membranes
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 …
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …
Emerging diversity in lipid–protein interactions
Membrane lipids interact with proteins in a variety of ways, ranging from providing a stable
membrane environment for proteins to being embedded in to detailed roles in complicated …
membrane environment for proteins to being embedded in to detailed roles in complicated …
Lipid–protein interactions are unique fingerprints for membrane proteins
Cell membranes contain hundreds of different proteins and lipids in an asymmetric
arrangement. Our current understanding of the detailed organization of cell membranes …
arrangement. Our current understanding of the detailed organization of cell membranes …
Characterization of lipid–protein interactions and lipid-mediated modulation of membrane protein function through molecular simulation
The cellular membrane constitutes one of the most fundamental compartments of a living
cell, where key processes such as selective transport of material and exchange of …
cell, where key processes such as selective transport of material and exchange of …
Multifaceted computational modeling in glycoscience
Glycoscience assembles all the scientific disciplines involved in studying various molecules
and macromolecules containing carbohydrates and complex glycans. Such an ensemble …
and macromolecules containing carbohydrates and complex glycans. Such an ensemble …
Molecular dynamics simulations in photosynthesis
Photosynthesis is regulated by a dynamic interplay between proteins, enzymes, pigments,
lipids, and cofactors that takes place on a large spatio-temporal scale. Molecular dynamics …
lipids, and cofactors that takes place on a large spatio-temporal scale. Molecular dynamics …
Develo** and testing of lipid force fields with applications to modeling cellular membranes
The amphipathic nature of the lipid molecule (hydrophilic head and hydrophobic tails)
enables it to act as a barrier between fluids with various properties and to sustain an …
enables it to act as a barrier between fluids with various properties and to sustain an …
Cholesterol interaction sites on the transmembrane domain of the hedgehog signal transducer and class FG protein-coupled receptor smoothened
Transduction of Hedgehog signals across the plasma membrane is facilitated by the class F
G-protein-coupled-receptor (GPCR) Smoothened (SMO). Recent studies suggest that SMO …
G-protein-coupled-receptor (GPCR) Smoothened (SMO). Recent studies suggest that SMO …
Lipid dependence of xanthophyll cycling in higher plants and algae
R Goss, D Latowski - Frontiers in plant science, 2020 - frontiersin.org
The xanthophyll cycles of higher plants and algae represent an important photoprotection
mechanism. Two main xanthophyll cycles are known, the violaxanthin cycle of higher plants …
mechanism. Two main xanthophyll cycles are known, the violaxanthin cycle of higher plants …