Membrane partitioning free energy

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9.0 years ago

roshanpra • 0

What is membrane partitioning free energy ? Can we look for difference in free energy upon partitioning in gromacs ? What are the methods I have to use ? Would be great if there are any links for that or any papers that I could study. Thanks.

gene • 2.2k views

ADD COMMENT • link updated 8.8 years ago by Biostar 20 • written 9.0 years ago by roshanpra • 0

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What have you tried? We are not doing your homework for you.

ADD REPLY • link 9.0 years ago by Michael 55k

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Well, I have- membrane partitioning free energy is the transfer free energy between solvent and membrane. It represents the barrier for passive membrane permeation. However, I want to know if it is possible to do membrane partitioning in gromacs and at last, I am not expecting you to do my homework as it's not a homework. I am just seeking different perspective to my query.

ADD REPLY • link updated 5.0 years ago by Ram 44k • written 9.0 years ago by roshanpra • 0

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Have a look at the opm database.

ADD REPLY • link 9.0 years ago by Pappu ★ 2.1k

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Thanks !!! What's the purpose of OPM database ?

ADD REPLY • link 9.0 years ago by roshanpra • 0

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