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April 6, 2023Journal of Chemical Theory and Computation

Epik: p K a and Protonation State Prediction through Machine Learning

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RJRyne C. JohnstonKYKun YaoZKZachary Kaplan

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Johnston et al. (2023) studied this question.

synapsesocial.com/papers/6a709ed5e5469ee92be15390https://doi.org/10.1021/acs.jctc.3c00044
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