Chris Oostenbrink

@mms-boku.bsky.social

Computational chemist at the Institute for Molecular Modeling and Simulation at BOKU in Vienna.

Looking forward to visit colleagues in Vienna and Graz 🇦🇹 If you’re in Vienna I’m speaking on: Prediction and Design of Intrinsically Disordered Proteins and Condensates (27/10 ISTA) & Understanding the Effects of Missense Variants Using Analyses of Protein Stability and Conservation (30/10 VBC)

This is a paper by Eleonora Ornati and Iiulia Ushakova that I am really proud of. Who would have thought that the well-known Glucose Oxidase is up for some surprises, i.e., that it initiates radical polymerizations without the need for initiators or activation by light! pubs.acs.org/doi/full/10....

Glucose Oxidase Initiates Radical Polymerizations by Direct Electron Transfer to Monomers

Glucose oxidase (GOx) is a widely used and studied enzyme, yet it continues to surprise with previously unknown activities. We report GOx to initiate radical polymerizations of acrylamides and methacr...

pubs.acs.org

Very happy to see version 2.0 of our advanced GROMOS tutorials out in LiveCoMS today! It shows how we can keep a tutorial up to date with the latest developments, but without having to start from scratch. A big ‘thank you’ to all co-authors for their work! #compchem

@livecomsjournal.bsky.social · 10mo ago

Interested in biomolecular simulation? The latest article by Lier et al describes advanced tutorials for the GROMOS software, including free energy calculations, enhanced sampling and neural network potentials with SchNetPack! #compchem livecomsjournal.org/index.php/li...

It’s been a while already, but PhD student Bene did a great job at defending his PhD thesis, entitled ‘The joys and pitfalls of accelerated enveloping distribution sampling’. Congratulations, Dr. Bene!

Bene in front of an image of the cover of his thesis, entitled ‘The joys and pitfalls of accelerated enveloping distribution sampling’

Are you passionate about AI & molecular engineering? Just ‼️one‼️ week left to apply to the 2 PhD positions currently open in our team at Chalmers! 🎓 Apply to join us in here in lovely Gothenburg, Sweden 🇸🇪🤩 For details: ailab.bio/join-us

Rocío Mercado Oropeza@rociomer.bsky.social · last yr.

🚨 We are currently recruiting 2 PhD students to join our team at Chalmers, which you can learn more about on our team website: ailab.bio/join-us Details in thread below! (1/5)

AIME team fika in our cozy lunch room.