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changes.mady.by.user Anika Friedman

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changes.mady.by.user Chapin Cavender

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Participants

Goals

  • Update on helical peptide benchmarks

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Item

Presenter

Notes

Helical peptide benchmarks

View file
name2023-12-14-chemical-shifts.pdf

Chapin Cavender

  • CC - ShiftX2 estimates do not correlate well with structural metrics of helicity

    • (All) - This is strange, we should reach out to LiveCoMS authors about this

Espaloma Benchmarks

Anika Friedman

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