Magarkar, Aniket and Jurkiewicz, Piotr and Allolio, Christoph and Hof, Martin and Jungwirth, Pavel (2017) Increased Binding of Calcium Ions at Positively Curved Phospholipid Membranes. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 8 (2). pp. 518-523. ISSN 1948-7185,
Full text not available from this repository. (Request a copy)Abstract
Calcium ion is the ubiquitous messenger in cells and plays a key role in neuronal signaling and fusion of synaptic vesicles. These vesicles are typically similar to 20-50 nm in diameter, and thus their interaction with calcium ions cannot be modeled faithfully with a conventional flat membrane bilayer setup. Within our newly developed molecular dynamics simulations setup, we characterize here interactions of the calcium ion with curved membrane interfaces with atomistic detail. The present molecular dynamics simulations together with time-dependent fluorescence shift experiments suggest that the mode and strength of interaction of calcium ion with a phospholipid bilayer depends on its curvature. Potential of mean force calculations demonstrate that the binding of calcium ion to the positively curved side of the bilayer is significantly stronger compared with that to a flat membrane.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | MOLECULAR-DYNAMICS SIMULATIONS; SOLVENT RELAXATION; LIPID-BILAYERS; BENDING ELASTICITY; FORCE-FIELD; CURVATURE; FLUCTUATIONS; FLUORESCENCE; UNDULATIONS; VALIDATION; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 14 Dec 2018 13:01 |
| Last Modified: | 19 Feb 2019 15:27 |
| URI: | https://pred.uni-regensburg.de/id/eprint/549 |
Actions (login required)
 |
View Item |
