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. 2001 Jul;81(1):217–224. doi: 10.1016/S0006-3495(01)75693-7

Fast lipid disorientation at the onset of membrane fusion revealed by molecular dynamics simulations.

S Ohta-Iino 1, M Pasenkiewicz-Gierula 1, Y Takaoka 1, H Miyagawa 1, K Kitamura 1, A Kusumi 1
PMCID: PMC1301505  PMID: 11423408

Abstract

Membrane fusion is a key event in vesicular trafficking in every cell, and many fusion-related proteins have been identified. However, how the actual fusion event occurs has not been elucidated. By using molecular dynamics simulations we found that when even a small region of two membranes is closely apposed such that only a limited number of water molecules remain in the apposed area (e.g., by a fusogenic protein and thermal membrane fluctuations), dramatic lipid disorientation results within 100 ps-2 ns, which might initiate membrane fusion. Up to 12% of phospholipid molecules in the apposing layers had their alkyl chains outside the hydrophobic region, lying almost parallel to the membrane surface or protruding out of the bilayer by 2 ns after two membranes were closely apposed.

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Selected References

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