Phil Biggin

Join us for a Biophysical Society Conference, Protons in Biology: Basic Science to Biomedicine taking place August 1-4, 2027, at Keble College, University of Oxford, in the UK buff.ly/kVg1Ug0

Congratulations to Nithisher Mouroug Anand and @oxfordbiochemistry.bsky.social Part II Antonia Panescu and their work reporting on problems associated with ABFE calculations of membrane proteins (GPCRs). Take home message is that great care is still needed for ABFEs pubs.acs.org/jctcce/artic...

Congratulations to @jchvh.bsky.social as his part II simulation work in @oxfordbiochemistry.bsky.social appears, Carl's simulations nicely revealed the dynamic connection between binding and biased signalling in GPR84. www.nature.com/articles/s41.... With Russell, Tikhonova, Zhang and Milligan labs

Latest preprint where we pooled our sim experiences to create "MDArena" for AI agents trying to automate MD simulation and analysis. Great work led by Nithishwer Mouroug Anand and @weitse-hsu.bsky.social and thanks to all lab members! @oxfordbiochemistry.bsky.social arxiv.org/abs/2608.02642

Opportunity for computational chemist at Genentech (South San Francisco CA USA) #CompChem #cheminformatics #AI #ML #ChemJobs #chemsky 🧪 careers.gene.com/us/en/job/20...

Congratulations to Franco Viscarra with his collaborative contribution to PNAS , "A Cannabidiol-Sensitive Region Involved in the Allosteric Modulation of the α7 Nicotinic Receptor": www.pnas.org/doi/10.1073/pnas.2535398123 Nice combination of multiple techniques with Bouzat and Bermudez labs!

A fellow of the Royal Society slashed funding for disease prevention, leading directly to the deaths of uncounted children. He promotes white supremacy and is actively encouraging racist violence in the UK. But he's Elon Musk, a billionaire. So the Royal Society does nothing. @royalsociety.org

Opportunity in 3D molecular modelling at Optibrium (UK) #CompChem #cheminformatics #UKChemJobs #ChemJobs #chemsky 🧪 optibrium.com/jobs/senior-...

E. coli ST131 is becoming carbapenem resistant. I suspect as CTX-M moves onto the chromosome and the F plasmid is lost facilitating acquisition of carbapenemase plasmids. No good can come of this

v2.0.0 of AMyGDA released AMyGDA segments images of M. tuberculosis growing on 96-well plates and measures MICs and growth. Developed during @crypticproject.info pypi.org/project/amyg...

Congratulations to Bjarne Feddersen for his work on benchmarking umbrella sampling workflows for PMF calculations of membrane permeation! Systematic work that provides guidance on how to approach these to minimise compute resource. @oxfordbiochemistry.bsky.social. pubs.acs.org/doi/10.1021/...

The antibody–drug conjugates created have shown promise in clinical trials to treat platinum-resistant ovarian cancer, while the other targets various solid tumour types. www.chemistryworld.com/news/basic-r...

Open position for Assistant Teaching Professor (non-tenure track) in the Department of Physics at Arizona State University in Tempe, AZ. apply.interfolio.com/185533 Deadline:June 1, 2026. Apply if you love teaching #physics & want to make a difference to a bright and diverse population of learners.

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)

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

www.dpag.ox.ac.uk/news/profess...

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/...

This sounds like a step in the right direction. www.ft.com/content/89ba...

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

This is SO COOL!!! academic.oup.com/bioinformati...

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! 🧵👇

Insights from aquaporin structures into drug-resistant sleeping sickness. 🔗 buff.ly/Y0A47zR

⏰ Don't forget to register for our #webinar tomorrow, 17 February 2026, 15:00 CET ✍️ bioexcel.eu/7c2s "From quick script to reproducible workflow" #molecularsimulations #workflows #FAIR #SoftwareEngineering @coderefinery.org

#OPENACCESS: Molecular dynamics simulations reveal DNA gate opening mechanisms for M. smegmatis topoisomerase 1A. Deepesh Sigdel and Maria Mills. buff.ly/GZXDTzi

🚀 JOB OPPORTUNITY: Research Associate in GenAI applied to Drug Discovery! 🧬 Full details: recruitment.irbbarcelona.org/jobs/6928145...

There's still time to make a 16 February poster abstract deadline for the Molecular and ion flows #FaradayDiscussion, Manchester, 13-15 April 2026. Poster presenters can expect lively discussions, networking, and a collaborative atmosphere where every delegate can contribute. #ChemSky #Nanofluidics

Our new preprint. First prospective use of a transformer model for drug repurposing against Streptococcus pneumoniae, a major AMR threat. Great collaboration with Nick Croucher’s lab. Of 11 tested, 9 showed strong activity, some against multidrug‑resistant strains. #AI #AMR

Second time this month I've encountered a paper on MD simulations of protein kinases with no coordinates from the trajectory provided. I'd like a few snapshots or cluster centroids. Something. Makes these papers essentially useless.

Check out our latest paper on the glycine receptor with @chakrapanilab.bsky.social where we show the interplay between the orthosteric and allosteric binding sites. www.science.org/doi/10.1126/...

Takeda (Boston, MA) looking for Associate Director, Computational Chemistry, (PhD, 7+ yrs exp): jobs.takeda.com/job/boston/a... #chemjobs #compchem (position pretty old, Nov 2025 posting)