Bioinspired design rules for flipping across the lipid bilayer from systematic simulations of membrane protein segments
We employ atomistic molecular dynamics simulations to investigate the flipping of truncated segments of EmrE and find that a membrane-exposed charged glutamate residue at the center of the N-terminal helix lowers the energetic barrier for flipping.
Authors
- Reid C. Van Lehn (ORCID: https://orcid.org/0000-0003-4885-6599)
- ByungUk Park (ORCID: https://orcid.org/0000-0001-7539-4743)
Institutions
- University of Wisconsin–Madison (US)
Publication Details
- Journal
- Molecular Systems Design & Engineering
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5me00032g
- Primary Topic
- Lipid Membrane Structure and Behavior
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Science Foundation
- Division of Molecular and Cellular Biosciences