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Wojtek Treyde

@wtreyde.bsky.social
132 followers 145 following 15 posts

PhD student at the University of Oxford 💻 Computational chemistry & ML for drug discovery 💊 Previously Columbia & Heidelberg

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Wojtek Treyde @wtreyde.bsky.social · 16/06/2026
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.
chemistry-europe.onlinelibrary.wiley.com
Substrate‐Selective Inhibition of the SARS‐CoV‐2 Papain‐Like Protease: Inhibition of Hydrolysis of Human Over Viral Substrates
The SARS-CoV-2 papain-like protease (PLpro) is a medicinal chemistry target. Here we report mass spectrometry assays employing oligopeptide substrates based on the sequences of the viral polyproteins...
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Wojtek Treyde @wtreyde.bsky.social · 05/06/2026
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
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Wojtek Treyde @wtreyde.bsky.social · 10/04/2026
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
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Wojtek Treyde @wtreyde.bsky.social · 09/11/2025
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...
doi.org
C6-Alkoxy substituted penicillins are potent non-covalently binding inhibitors of the SARS-CoV-2 main protease
Inhibition of the SARS-CoV-2 main protease (Mpro) by small-molecules is a validated strategy for COVID-19 treatment. There is a need for improved Mpro inhibitors, including because Mpro mutations can ...
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Reposted by Wojtek Treyde
Heidi Klem @drklemistry.bsky.social · 02/07/2025
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
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Wojtek Treyde @wtreyde.bsky.social · 10/06/2025
💻🧪 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.
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Wojtek Treyde @wtreyde.bsky.social · 07/05/2025
Spaces at our hackathon are filling up. Join us! lu.ma/apsqlxlj Reposts will be much appreciated.
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Wojtek Treyde @wtreyde.bsky.social · 22/04/2025
​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....
compmotifs.com
Science through Computation
Advancing the natural sciences
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Wojtek Treyde @wtreyde.bsky.social · 12/03/2025
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!
lu.ma
Workshop: Science through Computation · Luma
The Computational Motifs Initiative is coming to San Francisco! Together with Pebblebed, we’re hosting a 2-day hackathon on 26-27 March connecting builders and…
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Wojtek Treyde @wtreyde.bsky.social · 08/12/2024
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).
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