If you're at #ukqsar today, be sure to check out posters by @finlayclark.bsky.social, on work with @openforcefield.org, and @asmaferiel.bsky.social & @chikitng.bsky.social on computer-aided drug design methods! #compchem

Congrats to @asmaferiel.bsky.social who was part of the winning team for the @mosmedcdt.bsky.social Ideation Training event!

Great job by @asmaferiel.bsky.social presenting her work on molecular modelling of GALK1 at the @mosmedcdt.bsky.social conference! @wyattyue.bsky.social @matteodegiacomi.bsky.social

Thanks to Dr Kate Harris for an inspirational talk on the theme of Equity at today's @iupac.bsky.social #GWB2025. A very large turnout for this event across our brilliant research community showing a strong appetite to engage with these themes and support each other

Our team is having fun trying out the binding pose challenge! Check it out below, the organisers have done a great job making the data easy to access and understand!

This was a grand moment to witness #WeAreNCL!

In case you missed it over the new year, check out this great paper and open software package led by @finlayclark.bsky.social to help you automate your molecular simulation post-processing #compchem #chemsky

🎉!

And counting! Here is to more science 💫

Karwounopoulos et al. compare ML/MM end-state corrections vs. ML torsion re-fits for protein–ligand free energies. Both yield ~0.8–0.9 kcal/mol error, but torsion tuning is faster and more stable, making it a strong choice for large-scale drug discovery. pubs.acs.org/doi/full/10....

Twice recently when discussing committee membership of a learned body folk (once a colleague, once a student) asked me how it benefits me. I find this quite sad - it doesn’t have to always benefit me, benefitting others is good too. Everything doesn’t have to be transactional….does it?

Million congrats to @finlayclark.bsky.social both for best talk and being “best PhD” fellow as one speaker today announced (and I definitely, definitely second)! Always a true pleasure learning from such great exchanges!