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!

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 ☺️

Check out @jjguven.bsky.social work on free energy calculations on zinc-based metalloenzyme free energy calculations #chemsky

Excited to speak at the ELLIS ML4Molecules Workshop 2024 in Berlin! moleculediscovery.github.io/workshop2024/

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...

📢 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".

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!

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…

First snow this year! Just in time for talking about thermodynamics of phase changes in lectures.

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

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! 👏🏻🤩💙🦋

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.

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!

How’s your Sunday evening?

Hello world