The last paper that just squeaked over the line in 2025 is out in print now journals.asm.org/doi/full/10.... another fantastic collaboration with researchers in dentistry, chemistry and industry. Check it out here -

Being back from maternity leave yesterday on the first Monday after Christmas made it the Monday-ist Monday ever! Very grateful to my lovely colleagues for the welcome back, decorating my office so it would be less depressing, meeting me for lunch and generally stopping by for a chat 💬

First day back. Filling in the board….

Two weeks left now, please be kind when I return everyone. My brain is not running at full capacity 🧠

a final two papers are just squeaking over the line this year. One in mBio is still in production- a wonderful collaboration with researchers in Cardiff dental - and this one which would make fantastic Christmas reading www.mdpi.com/1422-0067/27... led by prof Jones in the school of Biosciences

Just paid off my student loan. It’s only taken 18 ish years. That’s what happens when governments suddenly put up interest when you’re in the middle of 8 years in higher education. Merry Christmas to me! 🎄

Our annual conference, Connectome, is in full swing today!  As well as excellent science talks, this morning we heard an insightful discussion between Prof Siddharthan Chandran, Prof Miratul Muqit, and journalist @rorycj.bsky.social, who generously shared his experience of living with Parkinson's.

Very important conversations happening at the U.K. DRI conference today. @rorycj.bsky.social @ukdri.ac.uk

🚀 New fellowship opportunity!🚀 Delighted to launch a bold new fellowship scheme in partnership with Race Against Dementia, to support innovative scientists who are using the latest AI technology to drive pioneering dementia research🎉 Find out more👉 buff.ly/xCMwZPM

😂 with what feels like less than adequate compensation for said constant rejections

DAVE: Open the podbay doors, ChatGPT. CHATGPT: Certainly, Dave, the podbay doors are now open. DAVE: The podbay doors didn't open. CHATGPT: My apologies, Dave, you're right. I thought the podbay doors were open, but they weren't. Now they are. DAVE: I'm still looking at a set of closed podbay doors.

Very cool

Always a nice email to receive. I look forward to sharing our paper with you once it’s in print 🎉

A pleasure to welcome @rorycj.bsky.social to the UK DRI at Cardiff! 🏴󠁧󠁢󠁷󠁬󠁳󠁿 Rory has written a fantastic blog about his experience meeting discovery scientists developing the next generation of treatments for Parkinson's & other neurodegenerative conditions rorycellanjones.substack.com/p/dementia-r...

Happy to announce our latest article, a tutorial on running Gaussian-accelerated MD simulations in NAMD. Tour de force work by @hmmichel.bsky.social with @mdpoleto.bsky.social that unifies theory and practice in one place! livecomsjournal.org/index.php/li...

AlphaFold is great, but contrary to public opinion it has not completely solved the protein folding problem. Much work remains to be done. clauswilke.substack.com/p/no-alphafo...

There is no justification on earth for blocking deliveries of baby formula to starving babies and mothers. What Israel is inflicting on Gaza is monstrous, genocidal. www.theguardian.com/world/2025/j...

CASP is the main reason the protein structure prediction technology and research field advanced over the last 30 years. And the main reason AI based methods have been accepted and widely applied in biology. So shortsighted of NIH to postpone or even halt funding. John Moult is a scientific hero.

Heat and a newborn is not a great combo 🥵

Just found out my nomination to join the biochemical society as a member of the grants panel was successful 🎉 working really hard for the first 5 months of this year is starting to pay off 🤣

New paper 🚨super proud of this collaborative effort, and grateful to my co-authors for answering the reviewer comments whilst I was on mat leave. You can find it here pubs.rsc.org/en/content/a...

This is madness!

One week left in work before maternity leave and I don’t want to speak to soon but I am really getting through my to do list 😆 no one derail me now please!

Next up prof. Vincent Dion from the @ukdri.ac.uk is talking science fact, not science fiction, and telling us about his groups approach to finding a treatment for Huntingtons. @alzheimersresearchuk.org

Our second speaker of the day, Dr Lelos talking to us about cell therapy and how this might be used to treat Huntingtons. @alzheimersresearchuk.org

ARUK public engagement at the @cardiffcity.bsky.social stadium. Dr Massey kicking it off by talking to us about Huntington’s Disease, what it is and how we might be cure it. @alzheimersresearchuk.org

Pre-announcement: MARTINI tutorial workshop, August 11-15th 2025 in Groningen, The Netherlands !! Learn basic and advanced Martini from the cocktail masters themselves. Registration will open soon.

Some good news for a change–Queen's has set aside funds to assist any students who have lost their visa status in the US and are looking to continue their graduate studies. Please share widely. www.queensu.ca/grad-postdoc...

Another report on how our high visa costs deter top R&D talent www.theguardian.com/science/2025...

AF2χ: Predicting protein side-chain rotamer distributions with AlphaFold2 https://www.biorxiv.org/content/10.1101/2025.04.16.649219v1

Our lab is hiring 1 PhD and 1 Postdoc to study the mechanism of lipid transport using computational methods (Molecular Dynamics, AI). Fully funded by @snsf-ch.bsky.social for 4 years, with amazing collaborators and excellent life and working conditions. Apply by email. Please share and repost!

📢 Our article calling for a #FAIR database for #MolecularDynamics simulation data has now been peer-reviewed and published in @naturemethods.bsky.social 📖 Read it here: rdcu.be/ef6YX 📝 Support the statement: bit.ly/3zVS3qm #MDDB #FAIRdata #collaboration

Final taught session of the year is done 🎉 I still have marking and in person assessments to do, but with 7 weeks left till I go on maternity leave it feels pretty good to be concentrating on final research bits and making sure all my students are in a good place before I go. 🧬🖥️

The Free Energy Workshop (feworkshop.bsky.social) will happen on May 6-8th. If you're an unemployed #CompChem modeller or researcher and want to attend to network but cannot afford the $215 registration fee, please DM me.

📣 Please share: TENURED ASSOCIATE PROFESSOR 👇 Establish your own group at DTU Health Tech! Deadline April 22nd '25 Tags #bioinformatics #dataScience #machineLearning #deepLearning #artificialIntelligence #AI #python #Rstats #teaching #research #academia efzu.fa.em2.oraclecloud.com/hcmUI/Candid...

More than 2 decades ago the PINK1 protein was found to be linked to Parkinson's disease, but its structure and how it was activated was not known. Until @science.org today. A triumph for cryo-EM and structural biology, introducing new targets for drug intervention. www.science.org/doi/10.1126/...

There is a lot of stress around job cuts and changes in the university at the minute, but Friday my lovely project students gave me the nicest card to say thank you for the help I gave them during their project. Little things like that from students make lots of the hard work so very worth it! 🥰

Dementia devastates the lives of everyone it touches, but this #internationalwomensday let’s highlight the impact it has on women: www.alzheimersresearchuk.org/about-us/our...

FREE WEBINAR for #BiophysicsWeek! March 27 at 1 PM Eastern The Spectrum of Ability in the Workplace: Learning About Our Largest Workplace “Minority”

A friend included this anti-acknowledgement section on her PhD thesis. She also added the proposition: “Systematic bullying and undermining of girls and women in STEM starts early on and is the reason why they do not stay in science and related fields.” Absurd we still need to go through this 🧪👩‍🔬

🚨 All right, since this is a place of sanity now, let’s kick things off with an open PhD position in my team to work on simulating glycans and their interactions. If you’re passionate about computational biophysics and glycobiology, go ahead and apply! Any shares would be greatly appreciated. 🙃

On the train so catching up with this excellent podcast open.spotify.com/episode/5aPX...

Spent the day with the newly established patient involvement group @ukdri.ac.uk Cardiff. Had a wonderful day talking about the importance of lived experience.

I (pre-)processed 150 submissions to Theor. Chem. Acc. during Jan-Feb. Some tips for first #compchem users: - #DFT is by far the most used method, but it needs some benchmarking too - Don’t describe the results, tell us a story - Take seriously the cover letter and the list of reviewers suggested

New study alert, published in PNAS! Our team revisits lipid nanoparticle composition and structure, challenging coarse-grained simulation approaches that may mask crucial pH-driven phase transitions. Discover how setups may bias LNP structures #LNP @fau.de www.pnas.org/doi/10.1073/pnas.2422995122

This is big news!

I have two open postdoctoral researcher positions in my group. I am looking for applicants with interest and expertise in computational structural biology and research software development. These positions are part of GANANA, a collaborative European/Indian project Check www.uu.nl/en/organisat...

Today is the last Monday in January for a whole year. Which is good news because I don’t think I can take another one. Every Monday this month has felt like an entire week on its own. 🫠

Day three of PhD interviews this week, a total of 12 interviews done and 3 to go. Some really great candidates which always makes me excited about future science! 🧪 🧬 🖥️ by the end of today we should have three candidates to go forward to the SWBio selection panel @swbiodtp.bsky.social

Last day in work before Christmas 🎄 hope you all have a wonderful break!