Work

Long-wavelength lipid bilayer undulation spectrum by all-atom simulation

Year: 2026

Type: article

Abstract: Molecular-scale interactions collectively determine the elastic response of membranes, and all-atom models provide the most chemically accurate representation of molecular-scale interactions. However, theoretical considerations and previous coarse-grained simulations suggest that very large all-atom simulations are required to directly observe the continuum regime first described by Canham, Evans, and Helfrich. Here, we present an all-atom simulation of dioleoyl phosphatidylcholine containing 10,330 lipids and approximately 3M atoms. The out-of-plane undulation spectrum clearly reaches the q − 4 scaling regime. Analysis of the long-wavelength intercept and of a fit to a tilt-corrected spectrum yield statistically indistinguishable values for the bending modulus between 21 and 22 k B T .

Source: Biophysical Journal

DOI: 10.1016/j.bpj.2026.03.051

Authors: Diego L. Velasco-González, Alexander J. Sodt, Edward Lyman

Institutions: University of Delaware, National Institutes of Health, Eunice Kennedy Shriver National Institute of Child Health and Human Development

Language: English

Topic: Lipid Membrane Structure and Behavior

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: hybrid

Estimated APC paid: $3,000

Funders: National Science Foundation, Office of Science, Eunice Kennedy Shriver National Institute of Child Health and Human Development