Toni Mey
@ppxasjsm.bsky.social
Senior lecturer in Computational Biophysics @ University of Edinburgh molecular simulations, machine learning and baking enthusiasts. Occasional mathematics outreach
Congratulations to Dr @rohangorantla.bsky.social for passing his PhD viva today marking the first official Mey group Dr. Thank you to Andrea Volkamer and Chris Wood for conducting the viva and all the best on your future scientific adventures Rohan!
January 23, 2025 at 7:06 PM
Congratulations to Dr @rohangorantla.bsky.social for passing his PhD viva today marking the first official Mey group Dr. Thank you to Andrea Volkamer and Chris Wood for conducting the viva and all the best on your future scientific adventures Rohan!
Reposted by Toni Mey
Associate professor or Tenure-track assistant professor in computational drug development, U Copenhagen 🇩🇰 employment.ku.dk/faculty/?sho... #compchem
163163 Associate professor or Tenure-track assistant professor in computational drug development
employment.ku.dk
January 17, 2025 at 6:14 AM
Associate professor or Tenure-track assistant professor in computational drug development, U Copenhagen 🇩🇰 employment.ku.dk/faculty/?sho... #compchem
Wow very impressive! Congratulations 🎉. Looking forward to the code ☺️
Super excited to preprint our work on developing a Biomolecular Emulator (BioEmu): Scalable emulation of protein equilibrium ensembles with generative deep learning from @msftresearch.bsky.social ch AI for Science.
www.biorxiv.org/content/10.1...
www.biorxiv.org/content/10.1...
December 7, 2024 at 8:59 AM
Wow very impressive! Congratulations 🎉. Looking forward to the code ☺️
Check out @jjguven.bsky.social work on free energy calculations on zinc-based metalloenzyme free energy calculations #chemsky
Can we do alchemistry with zinc? That’s the question we set out to answer in our paper tinyurl.com/j88h4n73. where we calculated binding free energies (RBFE) of known inhibitors with cross-class inhibition against serine- and metallo-β-lactamases, using open-source RBFE methods and metal models.
Protocols for Metallo- and Serine-β-Lactamase Free Energy Predictions: Insights from Cross-Class Inhibitors
While relative binding free energy (RBFE) calculations using alchemical methods are routinely carried out for many pharmaceutically relevant protein targets, challenges remain. For example, open-sourc...
tinyurl.com
December 6, 2024 at 3:06 PM
Check out @jjguven.bsky.social work on free energy calculations on zinc-based metalloenzyme free energy calculations #chemsky
Reposted by Toni Mey
Excited to speak at the ELLIS ML4Molecules Workshop 2024 in Berlin!
moleculediscovery.github.io/workshop2024/
moleculediscovery.github.io/workshop2024/
December 6, 2024 at 8:08 AM
Excited to speak at the ELLIS ML4Molecules Workshop 2024 in Berlin!
moleculediscovery.github.io/workshop2024/
moleculediscovery.github.io/workshop2024/
Reposted by Toni Mey
Super excited to preprint our work on developing a Biomolecular Emulator (BioEmu): Scalable emulation of protein equilibrium ensembles with generative deep learning from @msftresearch.bsky.social ch AI for Science.
www.biorxiv.org/content/10.1...
www.biorxiv.org/content/10.1...
December 6, 2024 at 8:39 AM
Super excited to preprint our work on developing a Biomolecular Emulator (BioEmu): Scalable emulation of protein equilibrium ensembles with generative deep learning from @msftresearch.bsky.social ch AI for Science.
www.biorxiv.org/content/10.1...
www.biorxiv.org/content/10.1...
Reposted by Toni Mey
📢 It's our great pleasure to invite you all to our upcoming #Workshop on "Computer Simulation and #Theory of Macromolecules" in #Hünfeld on March 7-8, 2025 in #hybrid format! See you online or on-site! More details are provided here: www.mpinat.mpg.de/workshop/hue... #TheoryHünfeld2025 #biophysics
December 4, 2024 at 1:43 PM
📢 It's our great pleasure to invite you all to our upcoming #Workshop on "Computer Simulation and #Theory of Macromolecules" in #Hünfeld on March 7-8, 2025 in #hybrid format! See you online or on-site! More details are provided here: www.mpinat.mpg.de/workshop/hue... #TheoryHünfeld2025 #biophysics
The 4th EFMC2 tandem talk 5th Dec (tomorrow) at 4pm CEST. Register ➡️ www.efmctandemtalks.org. Taylor Quinn and colleagues from AstraZeneca will present work on "Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor Using Generative Models and Structure-based Drug Design".
4th EFMC² Tandem Talks / Virtual Event - December 5, 2024
The fourth edition will take place on December 5 from 16:00 to 17:00 CEST. Taylor Quinn & colleagues (AstraZeneca) will deliver a lecture on “Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibi...
www.efmctandemtalks.org
December 4, 2024 at 10:55 PM
The 4th EFMC2 tandem talk 5th Dec (tomorrow) at 4pm CEST. Register ➡️ www.efmctandemtalks.org. Taylor Quinn and colleagues from AstraZeneca will present work on "Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor Using Generative Models and Structure-based Drug Design".
Does anyone have any strategies for unsolicited emails from irrelevant publishers that are clogging up an inbox? My research really is not suitable for an astrophysics and astronomy journal even if you send me 4+ emails per day! #chemsky
November 30, 2024 at 9:13 AM
Does anyone have any strategies for unsolicited emails from irrelevant publishers that are clogging up an inbox? My research really is not suitable for an astrophysics and astronomy journal even if you send me 4+ emails per day! #chemsky
Off to Berlin for a week for hopefully lots of fun science!
November 30, 2024 at 6:07 AM
Off to Berlin for a week for hopefully lots of fun science!
Yesterday we had a data jam at UoE Chemistry to turn data into music. We'll be showcasing the final pieces in January so watch this space in the meantime some fun pictures from the event.
November 28, 2024 at 5:16 PM
Yesterday we had a data jam at UoE Chemistry to turn data into music. We'll be showcasing the final pieces in January so watch this space in the meantime some fun pictures from the event.
I discovered the 3D printer at the university library. All the supports seemed a lot easier to remove in my head…
November 26, 2024 at 7:29 PM
I discovered the 3D printer at the university library. All the supports seemed a lot easier to remove in my head…
First snow this year! Just in time for talking about thermodynamics of phase changes in lectures.
November 24, 2024 at 9:31 AM
First snow this year! Just in time for talking about thermodynamics of phase changes in lectures.
Reposted by Toni Mey
The Small Molecule Digital Chemistry group at Novo Nordisk is looking for a Senior Scientist in the computational chemistry team. Join a young, dynamic team of drug discovery scientists working with an in silico first mindset to advance pharmaceutical programs! *Closing date Nov 30th
#chemjob
#chemjob
Senior Scientist - Computational Chemistry
Senior Scientist - Computational Chemistry
careers.novonordisk.com
November 22, 2024 at 11:05 PM
The Small Molecule Digital Chemistry group at Novo Nordisk is looking for a Senior Scientist in the computational chemistry team. Join a young, dynamic team of drug discovery scientists working with an in silico first mindset to advance pharmaceutical programs! *Closing date Nov 30th
#chemjob
#chemjob
Reposted by Toni Mey
Looking fwd to see @altmetric.com linking @bsky.app to bioRxiv @biorxivpreprint.bsky.social and to all major journals that are in here or about to land! 👏🏻🤩💙🦋
“Our social tools are not an improvement to modern society, they are a challenge to it.”
November 21, 2024 at 8:08 AM
Looking fwd to see @altmetric.com linking @bsky.app to bioRxiv @biorxivpreprint.bsky.social and to all major journals that are in here or about to land! 👏🏻🤩💙🦋
Reposted by Toni Mey
Hi Bluesky! 👋
I'm a PhD student working on ML methods for Drug Discovery at Edinburgh with @ppxasjsm.bsky.social. Looking forward to connecting with fellow ML, CompChem, Bio and Drug Discovery folks!🧬💊💻
Sharing starter packs in 🧵 below that I found helpful in finding people working in the domain.
I'm a PhD student working on ML methods for Drug Discovery at Edinburgh with @ppxasjsm.bsky.social. Looking forward to connecting with fellow ML, CompChem, Bio and Drug Discovery folks!🧬💊💻
Sharing starter packs in 🧵 below that I found helpful in finding people working in the domain.
November 20, 2024 at 2:14 PM
Hi Bluesky! 👋
I'm a PhD student working on ML methods for Drug Discovery at Edinburgh with @ppxasjsm.bsky.social. Looking forward to connecting with fellow ML, CompChem, Bio and Drug Discovery folks!🧬💊💻
Sharing starter packs in 🧵 below that I found helpful in finding people working in the domain.
I'm a PhD student working on ML methods for Drug Discovery at Edinburgh with @ppxasjsm.bsky.social. Looking forward to connecting with fellow ML, CompChem, Bio and Drug Discovery folks!🧬💊💻
Sharing starter packs in 🧵 below that I found helpful in finding people working in the domain.
Reposted by Toni Mey
New preprint! We prospectively evaluate structure-based methods and measure how well they classify clinical kinase mutations as inhibitor–resistant or –sensitizing when compared against our NanoBRET assay. Alchemical methods are well-suited to modeling distal mutants! Link: doi.org/10.1101/2024...
November 19, 2024 at 3:22 PM
New preprint! We prospectively evaluate structure-based methods and measure how well they classify clinical kinase mutations as inhibitor–resistant or –sensitizing when compared against our NanoBRET assay. Alchemical methods are well-suited to modeling distal mutants! Link: doi.org/10.1101/2024...
Yesterday’s speaker dinner after a wonderful seminar by Dr Erna Wieduwilt from SDU telling us about LPMOs role in biomass catalysis!
November 19, 2024 at 7:54 AM
Yesterday’s speaker dinner after a wonderful seminar by Dr Erna Wieduwilt from SDU telling us about LPMOs role in biomass catalysis!
How’s your Sunday evening?
November 17, 2024 at 7:33 PM
How’s your Sunday evening?