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 …
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 …
Cholesterol modulates the liposome membrane fluidity and permeability for a hydrophilic molecule
The effect of cholesterol (CHOL) content on the permeability and fluidity of
dipalmitoylphosphatidylcholine (DPPC) liposome membrane was investigated. Liposomes …
dipalmitoylphosphatidylcholine (DPPC) liposome membrane was investigated. Liposomes …
Membrane lipid nanodomains
Lipid membranes can spontaneously organize their components into domains of different
sizes and properties. The organization of membrane lipids into nanodomains might …
sizes and properties. The organization of membrane lipids into nanodomains might …
Quantitative comparison against experiments reveals imperfections in force fields' descriptions of popc–cholesterol interactions
M Javanainen, P Heftberger, JJ Madsen… - Journal of Chemical …, 2023 - ACS Publications
Cholesterol is a central building block in biomembranes, where it induces orientational
order, slows diffusion, renders the membrane stiffer, and drives domain formation. Molecular …
order, slows diffusion, renders the membrane stiffer, and drives domain formation. Molecular …
CHARMM-GUI Membrane Builder: Past, Current, and Future Developments and Applications
Molecular dynamics simulations of membranes and membrane proteins serve as
computational microscopes, revealing coordinated events at the membrane interface. As G …
computational microscopes, revealing coordinated events at the membrane interface. As G …
Structure and dynamics of GPCRs in lipid membranes: physical principles and experimental approaches
Over the past decade, the vast amount of information generated through structural and
biophysical studies of GPCRs has provided unprecedented mechanistic insight into the …
biophysical studies of GPCRs has provided unprecedented mechanistic insight into the …
[HTML][HTML] EPA and DHA differentially modulate membrane elasticity in the presence of cholesterol
Polyunsaturated fatty acids (PUFAs) modify the activity of a wide range of membrane
proteins and are increasingly hypothesized to modulate protein activity by indirectly altering …
proteins and are increasingly hypothesized to modulate protein activity by indirectly altering …
Phase separation in atomistic simulations of model membranes
Understanding the lateral organization in plasma membranes remains an open problem
despite a large body of research. Model membranes with coexisting micrometer-size …
despite a large body of research. Model membranes with coexisting micrometer-size …
Application of computational approaches in biomembranes: From structure to function
J Guo, Y Bao, M Li, S Li, L Xi, P Xin… - Wiley …, 2023 - Wiley Online Library
Biological membranes (biomembranes) are one of the most complicated structures that
allow life to exist. Investigating their structure, dynamics, and function is crucial for advancing …
allow life to exist. Investigating their structure, dynamics, and function is crucial for advancing …