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Charge correction: investigate other systems? #38

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hannahbaumann opened this issue Nov 17, 2023 · 1 comment
Open

Charge correction: investigate other systems? #38

hannahbaumann opened this issue Nov 17, 2023 · 1 comment

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@hannahbaumann
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We could take some of the other systems from the Schrodinger paper, maybe even the ones with pKa correction, and run them - we can maybe run compare to the raw results.
@hannahbaumann
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Running: PTP1B, TYK2, ephx2 from the Schrodinger charge changing paper

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