Isabell Grothaus
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isabellgrothaus.bsky.social
Isabell Grothaus
@isabellgrothaus.bsky.social
PostDoc at #Dioscuri Centre in @MCB_UJ and @MPIbp | Computational glycobiochemist
Ultrarunner 🏔
🏳️‍🌈
Glycans' conformers 🥦 majorly influence their processing by CAZymes. Linkage and ring distortion are correlated!🤩
Check-out our new preprint:https://www.biorxiv.org/content/10.1101/2025.06.27.661892v1

Wonderful colab with Carme Rovira!

#glycotime #CAZymes
June 30, 2025 at 7:45 AM
Dear #comchem #glycotime folks 🍭,

I need your help!
Does anyone know a tool to build sulfated polysaccharides and get structure und topology files for GROMACS with CHARMM36 FF?🤔

Unfortunately Charmm-gui is placing sulfate groups in wrong orientations.

Please RT!
#moleculardynamics
December 6, 2024 at 7:48 AM
🥳Hugh thank you to @brukercorporation.bsky.social and the University of Bremen for awarding me this year's study prize for my dissertation on the decoding of the GlycoCode with a focus on the influence of the 3D dynamics of glycans on biological processes.
#glycotime #massspec #moleculardynamics ❤️
December 2, 2024 at 8:42 AM