Experimental microstate data for SM14.

samplchallenges / SAMPL6

Challenge inputs, details, and results for the SAMPL6 series of challenges

https://samplchallenges.github.io

MIT License

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Experimental microstate data for SM14. #59

Closed MehtapIsik closed 6 years ago

MehtapIsik commented 6 years ago

Microstates of SM14 were characterized by NMR measurements which showed that two spectrophotometricly determined pKas correspond to two microscopic protonation events.

Changes are located in this directory: https://github.com/MobleyLab/SAMPL6/tree/pKa_experimental_data_NMR2/physical_properties/pKa/experimental_data/NMR_microstate_determination

MehtapIsik commented 6 years ago

I have incorporated @bannanc's edits.