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Discussion topics
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| (high) Review protonation and tautomer state PRs (medium) Prototype “prepare any PDB” workflow”. JM will contact MHenry to coordinate with his Bristol Meyers Squibb simulation setup. (optionally) also reach out to JWei to incorporate OpenFold for loop/missing residue modeling.
(medium) Look into clean options for using NAGL to charge NCAAs (can it handle full proteins in a reasonable amount of time?) (medium) Reach out to science team for additional vignette ideas (low, maybe use as vignette) RNA (openmmforcefields) + small mol/lipid (Sage) example (nucleic acid formulations are a hot topic, could get us funding/users) (details here)
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