Curvature Matters: Modeling Calcium Binding to Neutral and Anionic Phospholipid Bilayers
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F23%3A00572574" target="_blank" >RIV/61388963:_____/23:00572574 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1021/acs.jpcb.3c01962" target="_blank" >https://doi.org/10.1021/acs.jpcb.3c01962</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpcb.3c01962" target="_blank" >10.1021/acs.jpcb.3c01962</a>
Alternative languages
Result language
angličtina
Original language name
Curvature Matters: Modeling Calcium Binding to Neutral and Anionic Phospholipid Bilayers
Original language description
In this work, the influence of membrane curvature on the Ca2+ binding to phospholipid bilayers is investigated by means of molecular dynamics simulations. In particular, we compared Ca2+ binding to flat, elastically buckled, or uniformly bent zwitterionic and anionic phospholipid bilayers. We demonstrate that Ca2+ ions bind preferably to the concave membrane surfaces in both types of bilayers. We also show that the membrane curvature leads to pronounced changes in Ca2+ binding including differences in free ion concentrations, lipid coordination distributions, and the patterns of ion binding to different chemical groups of lipids. Moreover, these effects differ substantially for the concave and convex membrane monolayers. Comparison between force fields with either full or scaled charges indicates that charge scaling results in reduction of the Ca2+ binding to curved phosphatidylserine bilayers, while for phosphatidylcholine membranes, calcium binds only weakly for both force fields.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
<a href="/en/project/GX19-26854X" target="_blank" >GX19-26854X: Concert of lipids, ions, and proteins in cell membrane dynamics and function</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry B
ISSN
1520-6106
e-ISSN
1520-5207
Volume of the periodical
127
Issue of the periodical within the volume
20
Country of publishing house
US - UNITED STATES
Number of pages
9
Pages from-to
4523-4531
UT code for WoS article
001014129900001
EID of the result in the Scopus database
2-s2.0-85160213838