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marrink-lab / vermouth-martinize

Describe and apply transformation on molecular structures and topologies
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Glycosylation #502

Open KasperBuskPedersen opened 1 year ago

KasperBuskPedersen commented 1 year ago

Dear martinize2 developers

With your excellent sugar paper out, is glycosylation of proteins (and the topology construction of these in martinize2) in the horizon?

Best regards Kasper

fgrunewald commented 1 year ago

Hi @KasperBuskPedersen,

We are currently working on a set of sugar parameters for proteins. Of course as the general sugar rules are available everyone can in principle match some AA simulation and simply plug the beads on top. However, for the martinize2 implementation we will consider further protein specific benchmarks.

Cheers, Fabian