期刊
BIOPHYSICAL JOURNAL
卷 104, 期 11, 页码 2429-2436出版社
CELL PRESS
DOI: 10.1016/j.bpj.2013.04.036
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资金
- National Science Foundation-Cyber-Enabled Discovery [CDI-IOS-1125317, CMMI-1068212]
- USC Provost Fellowship Award
- Directorate For Engineering
- Div Of Civil, Mechanical, & Manufact Inn [1068212] Funding Source: National Science Foundation
- Division Of Integrative Organismal Systems
- Direct For Biological Sciences [1125317] Funding Source: National Science Foundation
Cholesterol (CHOL) molecules play a key role in modulating the rigidity of cell membranes and controlling intra-cellular transport and signal transduction. Using an all-atom molecular dynamics approach, we study the process of CHOL interleaflet transport (flip-flop) in a dipalmitoylphosphatidycholine (DPPC)-CHOL bilayer over a time period of 15 mu s. We inves: tigate the effect of the flip-flop process on mechanical stress across the bilayer and the role of CHOL in inducing molecular order in bilayer leaflets. The simulations are carried out at physiologically relevant CHOL concentration (30%), temperature (323 K), and pressure (1 bar). CHOL flip-flop events are observed with a rate constant of 3 x 10(4) s(-1). Once a flip-flop event is triggered, a CHOL molecule takes an average of 73 nanoseconds to migrate from one bilayer leaflet to the other.
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