There is a model of thylakoid membrane in water with a given ratio of lipids (360 lipids in total).
And i'm trying to do the right simulation in GROMACS. For this i need to know the surface tension (ST). To maintain the lateral pressure of 1 bar minus ST value.
And i cannot apply the average value of ~40 mN/m because of the high specificity of the membrane.
Any help will be appreciated.
Thanking you beforehand for your cooperation!
Sincerely, Michael.
Dear Michael Belov ,
Quite a challenging question. It depends on what you ‘want’. You can look at what the surface pressure is these type of lipids can achieve or you can focus on what is considered ‘physiologically’ relevant.
First question can be answered be stating that round 50 mM/m should be used. See for example:
Keller, R. C. A., Orsel, R., & Hamer, R. J. (1997). Competitive adsorption behaviour of wheat flour components and emulsifiers at an air–water interface. Journal of Cereal Science, 25(2), 175-183.
Article Competitive Adsorption Behaviour of Wheat Flour Components a...
The second answer is according to the following link round 33 mN/m (and confirms the 50 nM/m):
Hoyo, J., Guaus, E., & Torrent-Burgués, J. (2016). Monogalactosyldiacylglycerol and digalactosyldiacylglycerol role, physical states, applications and biomimetic monolayer films. The European Physical Journal E, 39(3), 39.
Article Monogalactosyldiacylglycerol and digalactosyldiacylglycerol ...
Keep in mind that you perform calculations so the actual result is not the most important but possible observed trends can be.
Hope this helps you a bit further.
Best regards.
Dear Rob Keller ,
thank you for the meaningful answer!
I will study these articles hoping that the answer will be found.
All the best,
Michael
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