Sorry for the cliché: not sure how to avoid it...
I am very honoured to join such an illustrious list of previous winners
And – of course – the credit largely belongs to the fabulous people I have been lucky enough to work with @dunnschool.bsky.social and earlier @mrclmb.ac.uk
Congrats. - sounds cool!
Happy to share our latest work where @Jennifersapia.bsky.social teamed up with @veijosalo.bsky.social and Xuewu Sui from @tamu.bsky.social to combine simulations and experiments to investigate DGAT1-dependent triglyceride synthesis, revealing more roles for DAG than previously known….(1/3)
thanks Faraz!
The Critical Assessment of Structure Prediction (CASP) experiment is calling for prediction targets: Immune Complexes, Organic Ligand-Protein Complexes, Nucleic Acids and Complexes, Conformational Ensembles, Difficult Protein Structures and Complexes. Rule of Thumb: If AlphaFold3 can generate a high-quality model, it is likely not a CASP-grade challenge. If it struggles, we want it.
Is #AI hitting a plateau in structure prediction? Help us find out at CASP17! 🧪🧬
Calling for Targets: Immune Complexes, protein - ligand complexes, RNA/DNA, conformational ensembles, membrane proteins, viral origins, and large complexes.
The Rule of Thumb: If AF3 can’t model it, we want it.
Check out our first lab preprint: A real team effort to understand the Plasmodium GAPM proteins, which form part of a essential bridge between the parasite's cytoskeleton and motility apparatus. Below is a sneak peek of some beautiful microscopy - light and electron! www.biorxiv.org/content/10.6...
Registration is open for the #CCPBioSim Annual Conference, 6-8 July, Bristol, UK!
See: www.ccpbiosim.ac.uk/bristol2026
Delighted to be hosting the conference @bristoluni.bsky.social, with the theme "Biomolecular simulation across scales, for understanding and design"
#compchem
#compbio
#biodesign
You asked, we listened. Millions of AI-predicted protein complex structures are now available in the #AlphaFold Database.
This spans homodimers from 20 of the most studied species, including humans, as well as the World Health Organization’s priority pathogens list.
www.ebi.ac.uk/about/news/t...
Happy to see our work on SLCO2A1 with @smlea.bsky.social, Nakanishi and Newstead labs out now. Important insight into how prostaglandin and many drugs are transported. Hats off to @weitse-hsu.bsky.social for computational work!
@oxfordbiochemistry.bsky.social
www.nature.com/articles/s41...
To think, at one point fairly recently, it wasn't even clear, thanks to government indecision, if the UK would have a supercomputer - here is some evidence that it's not only a good scientific investment, but also a good economic one. Great job @epcc.bsky.social !
Huge thanks to members of the Barr Lab, EMBOJ Editor Hartmut @hvodermaier.bsky.social and all reviewers!
🙏
Finally, the fully-typeset version of @haroldgrosjean.bsky.social's review "Developments and challenges in hit progression within fragment-based drug discovery" is online www.nature.com/articles/s41....
Congratulations Harold! @oxfordbiochemistry.bsky.social
The Fragment-Screen Pilot Access Call is open!
Access the new technologies developed in the project for fragment-based drug discovery - collect data and contribute to the continued development of fragment screening research.
Find out more and apply here - apply.fragmentscreen.org/submit-call/...
In-person training. 7th UK Workshop on Membrane Proteins. Birmingham, UK. 15-17 April 2026. Includes Biochemical Society logo, image of scientists in lab coats, in a lab, and event logo.
There are still a few places left for the 7th UK Workshop on Membrane #Proteins! Join us from 15-17 April at Aston University to understand the basics of membrane protein purification using cutting edge methods 🧪 ow.ly/rx0B50YbAUt
If you are a #GROMACS user and/or interested in #moleculardynamics simulations join us next week for our "What's new in GROMACS 2026.0" #webinar
🗓️ 3 March 2026, 15:00 CET
✍️ bioexcel.eu/cpok
@gromacs.bsky.social
Cool opportunity here!
Great to see this paper out with @profkalium.bsky.social - with MD from David Seiferth.
GqPCR inhibition inversely correlates with channel open probability, and results from a state-dependent destabilisation of the open state by DAG promoting channel closure.
link.springer.com/article/10.1...
Absolutely brilliant!
Come work with Ben Berks FRS in Oxford
2 x PDRA posts: Molecular Analysis of Bacterial Outer Membrane Protein Biogenesis
2 complementary projects investigating bacterial outer membrane protein biogenesis. Building on our recent work (Nature (2015) 647: 479-487)
my.corehr.com/pls/uoxrecru...
Excited to share our work into ubiquitin E1-E2 specificity mechanisms. CryoEM visualising #ubiquitin transfer,biochemistry,evolution @labhofmann.bsky.social & tissue expression analyses @psarkies.bsky.social Big thanks to the team,reviewers & handling editor @dimitristypas.bsky.social rdcu.be/eTRdR
MDAnalysis is participating in #GSoC 2026!
👉 Read our blog post for details on how you can apply to work with MDAnalysis through GSoC: www.mdanalysis.org/2026/02/19/g...
🗓️ Pre-proposals must be submitted by March 9.
❗For transparency and fairness, use public forums for all #GSoC communications.
Congratulations!
📢Out now! Work from @chipotlab.bsky.social and colleagues presents a method that learns from atomic motion without the need for handcrafted descriptors, allowing for accurate kinetics and atom-level insights. www.nature.com/articles/s43...
🔓 rdcu.be/e4p3B
🧐 Who will be presenting their #research projects during the upcoming #Theory #workshop in #Hünfeld? ⏩ Take a look at the program and list of #speakers. www.mpinat.mpg.de/workshop/hue... #Registration for 🖥️ online only participation is still open...
Ever get tired of tiny timesteps bottlenecking your MD simulations?
We show how to train a model for large-timestep Hamiltonian dynamics directly on standard MLFF datasets. 𝗡𝗼 𝗿𝗲𝗳𝗲𝗿𝗲𝗻𝗰𝗲 𝘁𝗿𝗮𝗷𝗲𝗰𝘁𝗼𝗿𝗶𝗲𝘀, 𝗻𝗼 𝘂𝗻𝗿𝗼𝗹𝗹𝗶𝗻𝗴, 𝗻𝗼 𝘁𝗲𝗮𝗰𝗵𝗲𝗿 needed!
🧵👇
