Abstract:
:Simulations of two distinct systems, one a planar bilayer, the other the inverse hexagonal phase, indicate consistent mechanical properties and curvature preferences, with single DOPE leaflets having a spontaneous curvature, R0 = -26 Å (experimentally ~ -29.2 Å) and DOPC leaflets preferring to be approximately flat (R0= -65 Å, experimentally ~ -87.3 Å). Additionally, a well-defined pivotal plane, where a DOPE leaflet bends at constant area, has been determined to be near the glycerol region of the lipid, consistent with the experimentally predicted plane. By examining the curvature frustration of both high and low curvature, the transferability of experimentally determined bending constants is supported. The techniques herein can be applied to predict the effect of biologically active molecules on the mechanical properties of lipid bilayers under well-controlled conditions.
journal_name
Biophys Jjournal_title
Biophysical journalauthors
Sodt AJ,Pastor RWdoi
10.1016/j.bpj.2013.03.048subject
Has Abstractpub_date
2013-05-21 00:00:00pages
2202-11issue
10eissn
0006-3495issn
1542-0086pii
S0006-3495(13)00387-1journal_volume
104pub_type
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