Di Antonio Research Group

diantoniogroup.bsky.social

11 August 2025 10:35

One of which is the HoD :)

Marc van der Kamp

marcvanderkamp.bsky.social

23 June 2025 21:47

Our first foray into Class C beta-lactamases - explaining how #antibiotic ceftazidime is broken down more easily by AmpC variants. #AMR #enzymes #compchem Great work by @andersonlimaaa.bsky.social, as @royalsociety.org fellow ACS Catalysis (Open Access): pubs.acs.org/doi/10.1021/...

Gianni De Fabritiis

gdefabritiis.bsky.social

19 November 2024 17:55

AMARO: All Heavy-Atom Transferable Neural Network Potentials of Protein Thermodynamics A novel machine-learning-based force field for protein thermodynamics. It uses an all-heavy-atom approach without hydrogens to simplify simulations while maintaining key dynamics. pubs.acs.org/doi/10.1021/...

Rommie Amaro

rommieamaro.bsky.social

18 November 2024 22:41

🚨Announcing NetSci: a super fast tool to compute correlated motion in biomolecules pubs.acs.org/doi/10.1021/... @pabloarantes.bsky.social & team also made it into a Colab notebook: colab.research.google.com/drive/1GGJKr... Give it a try & send feedback!

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