pka links - tobigithub/pka-calculations GitHub Wiki

Links for a number of tools, databases, websites, literature and information related to the calculation of pka values

• SAMPL - the pka prediction challenge website LINK(https://github.com/tobigithub/pka-calculations/wiki/pka-literature) Github(https://github.com/MobleyLab/SAMPL6)
• Jaguar pka - The Role of Conformations in DFT-based pKa Prediction LINK(https://www.schrodinger.com/science-articles/role-conformations-dft-based-pka-prediction)

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Local repository links

• DataWarrior pka collection LINK(https://github.com/tobigithub/pka-calculations/tree/master/datawarrior)