New paper out! We show that SARS-CoV-2 PLpro can be inhibited in a substrate-selective manner, preferentially blocking deISGylation over viral polyprotein processing. Computational modelling suggests a mechanism for the observed substrate selectivity.

Excited to share our paper on cephalosporin derivatives as potent SARS-CoV-2 Mpro inhibitors! doi.org/10.1016/j.ejmech.2026.118995 I contributed the computational modelling to help explain how subtle changes to the cephalosporin scaffold affect potency and mechanism. @ineosoxford.bsky.social

Excited to share our @cellpress.bsky.social paper on “computational motifs” (doi.org/10.1016/j.patter.2026.101518)! We present computational challenges shared across fields, prototypes to tackle them and recommendations for the community Big thanks to @aria-research.bsky.social & everyone involved

Thrilled to see our work on β-lactams and SARS-CoV-2 Mpro published in @rscmedchem.rsc.org! It’s been a pleasure contributing the computational modelling to this collaboration, which highlights how subtle chemical modifications can shift inhibition mechanisms. doi.org/10.1039/D5MD...

The Klem Lab at LSU is hiring a postdoctoral researcher in computational biochemistry! Application info: klem-research-group.github.io/join/ ♻️ Please share with anyone who might be interested! #chemjobs #postdoc #compchem #biochemistry #enzymes

💻🧪 CompMotifs: Hack the Sciences (lu.ma/apsqlxlj) is wrapped! 70+ hackers, 12 projects, £1.5k worth of prizes, 5 great speakers (incl. @petar-v.bsky.social!) and epic ideas. Powered by @aria-research.bsky.social and friends. 👉 compmotifs.com and lu.ma/compmotifs.

Spaces at our hackathon are filling up. Join us! lu.ma/apsqlxlj Reposts will be much appreciated.

​Following our successful SF event, we (www.compmotifs.com) are running another hackathon! When? 7-8 June. Where? London, UK. Who? Builders and researchers from academia and industry. What? Develop innovative computational tools to advance the natural sciences. Join us: lu.ma/apsqlxlj?utm....

We (www.compmotifs.com) are coming to SF! Together with Pebblebed, we’re hosting a 2-day hackathon on 26-27 March for builders and scientists across disciplines to build new methods and tools for the computational and natural sciences. Join us: lu.ma/t5yik06g. Reposts will be much appreciated!

Excited to share my master's thesis work with Chris Kim, Nazim Bouatta, and @moalquraishi.bsky.social: QuickBind, a light-weight and interpretable molecular docking model (arxiv.org/abs/2410.16474).