Molecular view of the interaction of S-methyl methanethiosulfonate with DPPC bilayer
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- 作者：Virginia Miguela ; Maria E. Defonsi Lestardb ; Marí ; a E. Tuttolomondob ; Sonia B. Dí ; azb ; Aida Ben Altabefb ; Marcelo Puiattia ; mpuiatti@fcq.unc.edu.ar" class="auth_mail" title="E-mail the corresponding author ; Adriana B. Pierinia
- 关键词：Molecular dynamics ; DPPC ; S-methyl methanethiosulfonate ; PMF
- 刊名：Biochimica et Biophysica Acta (BBA)-Biomembranes
- 出版年：2016
- 出版时间：January 2016
- 年：2016
- 卷：1858
- 期：1
- 页码：38-46
- 全文大小：1518 K
文摘
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First MD simulation study of S-methylmethanethiosulfonate/DPPC bilayer interaction
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MMTS interacts preferentially with the carbonyl region of DPPC bilayer.
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MMTS partitioning into DPPC is driven by a gained entropy at the polar head region.
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MMTS partitioning into DPPC is driven by a gained enthalpy at the nonpolar region.
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DMSO partition into DPPC was used for comparison.