Interactions of a transmembrane helix and a membrane: Comparative simulations of bacteriorhodopsin helix A

Journal article

Helix A of bacteriorhodopsin was simulated by using molecular dynamics both in isolation and as part of the complete protein. A POPC lipid bilayer and an octane monolayer were used as model membranes. Comparison of various systems showed octane to be a good alternative to lipid bilayer membranes providing fast equilibration, increased sampling, and decreased computational cost. Similarly single-helix simulations were found to capture some of the details of the full-protein simulations. In par...

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Authors: Ulmschneider, M; Tieleman, D; Sansom, M

• Publication status: Published
• Journal: JOURNAL OF PHYSICAL CHEMISTRY B
• Volume: 108
• Issue: 28
• Pages: 10149-10159
• Publication date: 2004-07-15
• DOI: 10.1021/jp0379650
• EISSN: 1520-5207
• ISSN: 1520-6106
• Language: English