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Tool for loading substructures and reading proteins

  • CD – Made tool to load monomer info and assign chemistry to…

  • MS – Show you’re showing how proteins could be done in this framework

    • CD – Yes

  • MS – Can this get out to an OpenMM simulation?

    • CD – I haven’t tried that yet

    • MS – A good test will be whether it crashes/simulates stably

    • CD – Agree, and I’d like to run this on the homopolymers that were provided.

  • MS – So if we did a protein with PEG grafted on, we’d just need to describe the residue where the joining happens, right?

    • CD – Mostly, yes.



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