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9 years 9 months ago #3954 by yipy0005
Run a CG protein with AA ligand-HELP! was created by yipy0005
Hi, I wish to run a protein-ligand complex simulation with the protein in CG and ligand in AA. However, I don't know how to do it? Can anyone advise me on this?

Thanks, any help is appreciated. =)

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9 years 9 months ago - 9 years 9 months ago #3957 by Clement
Replied by Clement on topic Run a CG protein with AA ligand-HELP!
That's... tricky at best. But check our literature on the subject: scitation.aip.org/content/aip/journal/jc.../5/10.1063/1.4863329 and pubs.acs.org/doi/abs/10.1021/ct5001523 . You'll find plenty of other papers on that, look around. Good luck!

(and YES this is a copy/paste from my answer to your other post )
Last edit: 9 years 9 months ago by Clement.

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