TCB Publications - Abstract
Sergey Stepaniants, Sergei Izrailev, and Klaus Schulten. Extraction of lipids from phospholipid membranes by steered molecular dynamics. Journal of Molecular Modeling, 3:473-475, 1997.
(PLA) by pulling a lipid molecule from a monolayer of dilauryl-phosphatityl-ethanolamin lipids into the active site of PLA and into the aqueous phase. The results of the simulations were compared to draw inferences about the forces that stabilize the lipids in the membrane and to understand the mechanism of lipid extraction by PLA. Download Full Text
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