Wojtek Treyde
@wtreyde.bsky.social
PhD student at the University of Oxford
💻 Computational chemistry & ML for drug discovery 💊
Previously Columbia & Heidelberg
💻 Computational chemistry & ML for drug discovery 💊
Previously Columbia & Heidelberg
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/10.1039/D5MD...
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 ...
doi.org
November 9, 2025 at 3:32 PM
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/10.1039/D5MD...
Reposted by Wojtek Treyde
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
Application info: klem-research-group.github.io/join/
♻️ Please share with anyone who might be interested! #chemjobs #postdoc #compchem #biochemistry #enzymes
July 2, 2025 at 3:07 PM
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
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.
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.
June 10, 2025 at 3:35 PM
💻🧪 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.
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.
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....
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....
Science through Computation
Advancing the natural sciences
www.compmotifs.com
May 7, 2025 at 2:19 PM
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....
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....
Science through Computation
Advancing the natural sciences
www.compmotifs.com
April 22, 2025 at 7:51 AM
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....
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!
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!
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…
lu.ma
March 12, 2025 at 1:55 PM
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!
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).
December 8, 2024 at 5:18 PM
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).