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 …

Glycoscience assembles all the scientific disciplines involved in studying various molecules
and macromolecules containing carbohydrates and complex glycans. Such an ensemble …

For simulations of membranes and membrane proteins, the generation of the lipid bilayer is
a critical step in the setup of the system. Membranes comprising multiple components pose …

As sessile organisms, plants are constantly challenged by a dynamic growing environment.
This includes fluctuations in temperature, water availability, light levels, and changes in …

Cyanobacteria have evolved elaborate electron transport pathways to carry out
photosynthesis and respiration, and to dissipate excess energy in order to limit cellular …

Post-translational modifications (PTMs) occur in almost all proteins and play an important
role in numerous biological processes by significantly affecting proteins' structure and …

We present a comparative all-atom molecular dynamics simulation study of 18
biomembrane systems with lipid compositions corresponding to eukaryotic, bacterial, and …

Highlights•Simulations provide a computational tool to probe membrane structure and
dynamics.•Simulations can successfully predict lipid binding sites on membrane …

Computational 'microscopy'refers to the use of computational resources to simulate the
dynamics of a molecular system. Tuned to cell membranes, this computational …

Membrane ion channels are the fundamental electrical components in the nervous system.
Recent developments in X-ray crystallography and cryo-EM microscopy have revealed what …