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ljmartin/tautomer_energies.ipynb

Last active February 26, 2024 03:19
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ljmartin commented Feb 26, 2024 •
edited

relying on this as the method of combining binding constants. It's from https://pubs.acs.org/doi/10.1021/acs.jctc.3c00870 which, in turn, references Gallicchio, equation 22, https://pubs.acs.org/doi/10.1021/ct1002913 . Note that K_i is not inhibition constant, but the i-th Keq
Screenshot 2024-02-26 at 2 06 36 pm

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