Ethanol molecule hydrogen bonding to a POPC lipid

A movie showing how ethanol forms hydrogen bonds with (POPC) lipids. Snapshot from a molecular dynamics simulations of ethanol, water and 128 POPC lipids. Water has been removed for clarity.

References:

1. Under the influence of alcohol: The effect of ethanol and methanol on lipid bilayers. M. Patra, E. Salonen, E. Terama, I. Vattulainen, R. Faller, B.W. Lee, J. Holopainen, and M. Karttunen. Biophys. J. 90, 1121-1135 (2006). http://www.biophysj.org/cgi/content/abstract/90/4/1121

2. Structural effects of small molecules on phospholipid bilayers investigated by molecular simulations. B.W. Lee, R. Faller, A.K. Sum, I. Vattulainen, M. Patra, and M. Karttunen. Fluid Phase Equilibria 225, 63-68 (2004). http://dx.doi.org/10.1016/j.fluid.2004.07.008

3. Influence of Ethanol on Lipid Membranes: From Lateral Pressure Profiles to Dynamics and Partitioning,
E. Terämä, O.H.S. Ollilla, E. Salonen, A. Rowat, C. Trandum, Peter Westh, M. Patra, M. Karttunen, I. Vattulainen. J. Phys. Chem. B 112, 4131-4139 (2008). http://dx.doi.org/10.1021/jp0750811

Category:

Science & Technology

Tags:

• softsimu
• ethanol
• hydrogen bonding
• molecular dynamics
• biophysics
• lipids
• membranes

[Swizz884]

ye nice : )