Dementia Research - meet the scientists
Big data, fruit flies and the battle against brain diseases
A pleasure to welcome @rorycj.bsky.social to the UK DRI at Cardiff! π΄σ §σ ’σ ·σ ¬σ ³σ Ώ
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...
14.07.2025 09:54 β π 2 π 2 π¬ 0 π 0
Running Gaussian-accelerated Molecular Dynamics Simulations in NAMD [Article v1.0]
| Living Journal of Computational Molecular Science
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...
12.07.2025 17:37 β π 13 π 5 π¬ 0 π 0
No, AlphaFold has not completely solved protein folding
Biology is hard. Yes, even for AI.
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...
12.07.2025 18:19 β π 126 π 67 π¬ 3 π 6
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.
02.07.2025 22:36 β π 41 π 14 π¬ 1 π 0
Heat and a newborn is not a great combo π₯΅
20.06.2025 19:41 β π 0 π 0 π¬ 0 π 0
Just found out my nomination to join the biochemical society as a member of the grants panel was successful π working really hard for the first 5 months of this year is starting to pay off π€£
19.06.2025 08:29 β π 1 π 0 π¬ 0 π 0
Image shows the front page of the paper listing author names, journal title and the abstract. The link will take you to the same page
New paper π¨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...
16.06.2025 17:07 β π 1 π 1 π¬ 0 π 0
This is madness!
02.06.2025 07:10 β π 0 π 0 π¬ 0 π 0
One week left in work before maternity leave and I donβt want to speak to soon but I am really getting through my to do list π no one derail me now please!
16.05.2025 10:18 β π 0 π 0 π¬ 1 π 0
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
15.05.2025 12:47 β π 1 π 1 π¬ 0 π 0
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
15.05.2025 11:10 β π 1 π 1 π¬ 0 π 0
Image shows a researcher in a stage explaining Huntingtonβs disease. He is talking about the CAG expansion found in this disease.
ARUK public engagement at the @cardiffcity.bsky.social stadium. Dr Massey kicking it off by talking to us about Huntingtonβs Disease, what it is and how we might be cure it. @alzheimersresearchuk.org
15.05.2025 10:36 β π 2 π 2 π¬ 0 π 0
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.
28.04.2025 09:06 β π 23 π 12 π¬ 0 π 0
Good luck!
26.04.2025 21:19 β π 1 π 0 π¬ 0 π 0
"The UK's upfront immigration costs now vastly exceed other leading research nations, so the UK is struggling to compete.
EU countries can more easily attract talent from the EU due to free movement, and from non-EU countries due to their relatively low visa costs.
"Non-EU countries are also attractive to global research talent due to lower comparative immigration costs than the
UK."
British scientific institutions are having to spend huge sums on visa costs for cancer professionals they wish to attract and recruit.
The Francis Crick Institute, one of the world's leading biomedical research centres, is now spending more than Β£500,000 a year on visas for cancer scientists. Cancer Research UK institutes are spending almost Β£690,000 a year, up 44% from Β£470,000 in 2022-23.
Another report on how our high visa costs deter top R&D talent
www.theguardian.com/science/2025...
22.04.2025 07:04 β π 361 π 217 π¬ 24 π 36
AF2Ο: Predicting protein side-chain rotamer distributions with AlphaFold2 https://www.biorxiv.org/content/10.1101/2025.04.16.649219v1
17.04.2025 17:51 β π 7 π 1 π¬ 0 π 1
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!
15.04.2025 16:06 β π 47 π 31 π¬ 1 π 1
π’ Our article calling for a #FAIR database for #MolecularDynamics simulation data has now been peer-reviewed and published in @naturemethods.bsky.social
π Read it here: rdcu.be/ef6YX
π Support the statement: bit.ly/3zVS3qm
#MDDB #FAIRdata #collaboration
04.04.2025 08:09 β π 37 π 21 π¬ 0 π 3
Final taught session of the year is done π 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. π§¬π₯οΈ
04.04.2025 12:21 β π 0 π 0 π¬ 0 π 0
Free Energy Workshop 2025 (@feworkshop.bsky.social)
Organizing the largest workshop concerning Free Energy calculations within the United States.
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.
28.03.2025 16:34 β π 13 π 7 π¬ 0 π 0
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/...
13.03.2025 23:19 β π 394 π 84 π¬ 4 π 5
They did so well taking on a brand new subject (computational biology) and all managed to run some simulations, get great data, and write about it π»π§¬ it was a pleasure to have four future budding female scientists and doctors join our group for a couple of months
09.03.2025 17:51 β π 0 π 0 π¬ 1 π 0
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! π₯°
09.03.2025 17:49 β π 2 π 0 π¬ 1 π 0
ARUK βimpact of dementia on womenβ report graphic
Dementia devastates the lives of everyone it touches, but this #internationalwomensday letβs highlight the impact it has on women: www.alzheimersresearchuk.org/about-us/our...
08.03.2025 07:39 β π 7 π 6 π¬ 1 π 0
There have been people less than helpful in my journey here. I wanted to acknowledge those too, bc I know I am not unique in this experience.
No thank you to the physics study assoc that made me sing songs about how women couldn't study physics without sleeping with the professor, the day I stepped into university life. No thank you to the 5th year physics student that decided to assign me a stripper name within the first minute of meeting me in the physics coffee corner in my first year. No thank you to the technician that was responsible for onboarding me on the use of the cluster in my third year who raised his eyebrows and asked me if that meant I was some sort of computer girl. No thank you to the senior researcher that sent me utterly inappropriate texts after a conference, then proceeded to apologise months later by telling me they had not been meant for me anyway so no hard feelings remain hopefully And no thank you to him for attending every conference I've been to since. No thank you to the people who told me that it was surprising that I was doing a PhD since I was a girl. No thank you to the man who mistook me for a coffee lady at a conference, and after having to correct him two times that I did not work there, responded with you should consider it. No thank you to the researcher that asked me what I was wearing underneath my outfit during a conference. No thank you to the physicist who declared to a room full of other physicists that biologists don't know how to design an experiment. No thank you to the people who have called me scary instead of strong and intimidating instead of intelligent.
And finally, no thank you to the exec board of the TU Delft, whose knee-jerk reaction to being held up a mirror about the social safety at the university, was to sue the party holding up the mirror instead of looking at the problems they highlighted.
... You have made me feel like I do not belong in science & I cannot forgive you for that.
A friend included this anti-acknowledgement section on her PhD thesis. She also added the proposition: βSystematic 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.β
Absurd we still need to go through this
π§ͺπ©βπ¬
06.03.2025 16:40 β π 6613 π 2374 π¬ 123 π 337
CHARMM-GUI
π¨ All right, since this is a place of sanity now, letβs kick things off with an open PhD position in my team to work on simulating glycans and their interactions. If youβre passionate about computational biophysics and glycobiology, go ahead and apply! Any shares would be greatly appreciated. π
27.02.2025 19:48 β π 15 π 16 π¬ 1 π 0
Technology, Parkinsonβs, #sophiefromromania
Senior Computational Scientist @astrazeneca.bsky.social
Computational Structural Biology | Molecular Modeling | Molecular dynamics | De novo design
Computational biochemist (he/him), PI of the http://vanderkampgroup.com. Likes #enzymes & #compchem, #diversity #inclusion
Prof of DNA repair and neurodegeneration at the UK DRI at Cardiff university.
Huntingtonβs disease
Myotonic dystrophy and others
Centre of Excellence for Computational Biomolecular Research
MCU HDR at UniversitΓ© Paris CitΓ© #RNA #biomolecularinterfaces #molecularmodelling #compchem
Advancing the promise of the Human Genome Project by interpreting the landscape of human genetic variation.
https://www.varianteffect.org
https://www.linkedin.com/company/atlas-of-variant-effects-alliance
Computational Chemist/Alchemist/Product Manager @ SchrΓΆdinger Inc.
Science Programme Manager. Former researcher in auditory neurons and glia.
Professor of Chemistry, University of Bristol. Computational chemistry,enzyme catalysis, biomolecular simulation,HPC,antibiotic resistance.Views my own.
Investigating protein nanomachines and their dynamics.
ARC DECRA Fellow at Monash University π¦πΊ.
Structural biologist. Author of WIGGLE. He/Him. π³οΈβπ
Molecular modeling, simulations, metadynamics, machine learning
Developing methods & assembling data to explore multi-omic dynamics across cell contexts, in stem cell models & neocortical development, neurodegeneration and neuroinflammation in particular: http://carlocolantuoni.org
Researcher on BiophysicsπAuburn University | In-silico strategies on fighting infectious diseases π¦ | Cinephile πΌ | Languages π§π·πΊπΈπ«π·πͺπΈπ©π°| Linkedin: priscila-fgomes
A neuroscience lab, co-directed by Prof Anne Rosser and Dr Mariah Lelos, based at Cardiff University, UK. We work on developing therapeutics for Huntington's and Parkinson's disease @riahlelos.bsky.social https://www.thebrainrepairgroup.com/
**Quantum & Computational Chemistry
#compchem #theochem #DFT π»ππ
**Scientist and Senior Lecturer at University of #Alicante, Spain. πͺπΈβοΈπ₯π€πβ΅οΈβ±οΈ
**Editor-in-Chief of Theor. Chem. Acc. (founded in 1962, the oldest journal in our field) Views are my own
Computational biologist lecturer @ Cardiff University - interested in integrating omics to understand disease! All views my own
Lecturer - Computational biologist. Bit of a muppet. Interested in genome architecture, gene regulation and WNT signalling. Addicted to tea! All views my own
We are a group of academic labs around the world that perform biomedical research using the computing power of volunteers
Join us at: http://foldingathome.org