Nice work!
"About one year ago..." - Hmmm, did you couple this Cold Optimized Virtual Industrial Design simulator to a DNA expression system to verify it experimentally by any chance?
> On Apr 1, 2021, at 10:51, Adrian Roitberg <roitberg.ufl.edu> wrote:
>
> Hi Everyone
>
> The Amber developers' team is happy to announce a breakthrough that will
> change the way we do simulations.
>
> About one year ago, we started building an Amber-specific quantum
> computer (QAMBER) in the basement of Jason Swails' home, making use of
> the low temperatures in Pennsylvania. Last weekend we finally had a
> working port of Amber.
>
> Our first test was to create the full sequence of a ribosome a big water
> box. We saw the ribosome fold and assemble itself in a matter of seconds !
>
> We then got greedy, and added some mRNA and some loose aminoacids. We
> saw spontaneous translation of that mRNA into a protein, which proceeded
> to fold itself into the correct structure.
>
> We are still discussing exactly what water/ions model is best, but we
> feel this is a breakthrough worth celebrating as a community.
>
> Donations towards Jason's electric bill for the superconducting magnets
> are welcome.
>
>
> Adrian
>
>
> --
> Dr. Adrian E. Roitberg
> V.T. and Louise Jackson Professor in Chemistry
> Department of Chemistry
> University of Florida
> roitberg.ufl.edu
> 352-392-6972
>
>
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Received on Thu Apr 01 2021 - 08:30:02 PDT
