#20 · Structural bio & protein design
Proteins and condensates strain lipid bilayers and transmit coupling across membranes
The dominant thread is how proteins and condensates mechanically perturb lipid bilayers. A preprint combining all-atom MD, multiscale SAXS and Bayesian inference quantifies OmpLA-induced membrane strain and protein/lipid ratio in proteoliposomes. A coarse-grained MD study reports that enhanced lipid interdigitation beneath protein condensates mediates transbilayer coupling. A reaction-diffusion model distinguishes three client-exchange regimes governing FRAP recovery in scaffold-driven condensates. Methodologically, a published SuAVE implementation computes membrane area compressibility by direct surface-area integration, avoiding Fourier wavevector cutoffs. A proteome-scale study quantifies interactions driving IDP condensate formation, extending the thread toward condensate assembly. The new elements are interdigitation as a transbilayer coupling mechanism and combined MD-SAXS-Bayesian strain quantification. The exchange and proteome papers address condensate kinetics and formation rather than membrane mechanics directly.
Published papers
A Numerical Implementation to Calculate Elastic Properties of Biological Membrane Simulations.
Implements the s_comp tool in SuAVE to estimate membrane area compressibility by direct integration of surface areas, avoiding Fourier wavevector cutoffs and…
Preprints
Membrane Thickness Strain from Protein Inclusions: A Multiscale Simulation and X-Ray Scattering Study of Proteoliposomes
Integrates all-atom MD simulations with multiscale SAXS and Bayesian inference to quantify OmpLA-induced membrane strain and protein/lipid ratio in…
Lipid droplet shape and tendency towards budding: insight from theory and molecular simulations
Coarse-grained MD simulations show nascent lipid droplets match spherical-cap theory; aspect ratio stays below 1 up to 40 nm diameter.
Topic history
| Date | Rank |
|---|---|
| #20 | |
| #16 |