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 …

Generation of nanoscopic membrane curvature for membrane trafficking

MM Kozlov, JW Taraska - Nature reviews Molecular cell biology, 2023 - nature.com
Curved membranes are key features of intracellular organelles, and their generation
involves dynamic protein complexes. Here we describe the fundamental mechanisms such …

Multiscale simulations of biological membranes: the challenge to understand biological phenomena in a living substance

G Enkavi, M Javanainen, W Kulig, T Róg… - Chemical …, 2019 - ACS Publications
Biological membranes are tricky to investigate. They are complex in terms of molecular
composition and structure, functional over a wide range of time scales, and characterized by …

Multifaceted computational modeling in glycoscience

S Perez, O Makshakova - Chemical Reviews, 2022 - ACS Publications
Glycoscience assembles all the scientific disciplines involved in studying various molecules
and macromolecules containing carbohydrates and complex glycans. Such an ensemble …

Endocytic Roles of Glycans on Proteins and Lipids

L Johannes, M Shafaq-Zadah… - Cold Spring …, 2024 - cshperspectives.cshlp.org
Most cell surface proteins are decorated by glycans, and the plasma membrane is rich in
glycosylated lipids. The mechanisms by which the enormous complexity of these glycan …

The 2018 biomembrane curvature and remodeling roadmap

P Bassereau, R **, T Baumgart… - Journal of physics D …, 2018 - iopscience.iop.org
The importance of curvature as a structural feature of biological membranes has been
recognized for many years and has fascinated scientists from a wide range of different …

Martini 3 coarse-grained force field for carbohydrates

F Grünewald, MH Punt, EE Jefferys… - Journal of Chemical …, 2022 - ACS Publications
The Martini 3 force field is a full reparametrization of the Martini coarse-grained model for
biomolecular simulations. Due to the improved interaction balance, it allows for a more …

Unconventional endocytic mechanisms

HF Renard, E Boucrot - Current Opinion in Cell Biology, 2021 - Elsevier
Endocytosis mediates the uptake of extracellular proteins, micronutrients and
transmembrane cell surface proteins. Importantly, many viruses, toxins and bacteria hijack …

Backmap** triangulated surfaces to coarse-grained membrane models

W Pezeshkian, M König, TA Wassenaar… - Nature …, 2020 - nature.com
Many biological processes involve large-scale changes in membrane shape. Computer
simulations of these processes are challenging since they occur across a wide range of …

[HTML][HTML] Simulating realistic membrane shapes

W Pezeshkian, SJ Marrink - Current opinion in cell biology, 2021 - Elsevier
Biological membranes exhibit diversity in their shapes and complexity in chemical
compositions that are linked to many cellular functions. These two central features of …