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 …
Generation of nanoscopic membrane curvature for membrane trafficking
Curved membranes are key features of intracellular organelles, and their generation
involves dynamic protein complexes. Here we describe the fundamental mechanisms such …
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
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 …
composition and structure, functional over a wide range of time scales, and characterized by …
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 …
Endocytic Roles of Glycans on Proteins and Lipids
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 …
glycosylated lipids. The mechanisms by which the enormous complexity of these glycan …
The 2018 biomembrane curvature and remodeling roadmap
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 …
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 …
biomolecular simulations. Due to the improved interaction balance, it allows for a more …
Unconventional endocytic mechanisms
Endocytosis mediates the uptake of extracellular proteins, micronutrients and
transmembrane cell surface proteins. Importantly, many viruses, toxins and bacteria hijack …
transmembrane cell surface proteins. Importantly, many viruses, toxins and bacteria hijack …
Backmap** triangulated surfaces to coarse-grained membrane models
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 …
simulations of these processes are challenging since they occur across a wide range of …
[HTML][HTML] Simulating realistic membrane shapes
Biological membranes exhibit diversity in their shapes and complexity in chemical
compositions that are linked to many cellular functions. These two central features of …
compositions that are linked to many cellular functions. These two central features of …