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Ramon Crehuet

@rcrehuet.bsky.social
96 followers 48 following 47 posts

Protein dynamics and protein design. But so far only with a computer... Yes I'm happy to rely on excellent collaborators who do the dirty work! :-)

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Reposted by Ramon Crehuet
Mar Albà lab @maralbalab.bsky.social · 04/10/2026
We are recruiting!! EU-funded PhD position to study the evolution of small proteins - from noise to function Apply before Oct 22 albagroup.researchmar.net/positions www.orfeus-dn.eu @grib-barcelona.bsky.social @prbb.org @researchmar.bsky.social @official-smbe.bsky.social @sciencehr.bsky.social
albagroup.researchmar.net
Mar Albà 's evolutionary genomics LAB: Open Positions
work with us at the evolutionary genomics lab
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Ibane Abasolo @ibane-abasolo.bsky.social · 09/09/2026
📢 We're hiring! My group (NM4T) at IQAC-CSIC (Barcelona) is looking for a European Research Project Manager in Cancer & Nanomedicine. You'll help manage two exciting EU-funded projects on pancreatic cancer. 📍 Barcelona 📅 Apply by 15 Oct 2026 🔗 www.iqac.csic.es/join-us/ or DM! Please share! 🙏
iqac.csic.es
Únete al IQAC y desarrolla tu carrera científica | IQAC
Descubre las oportunidades del IQAC para investigadores y profesionales en un entorno científico internacional, innovador y colaborativo.
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Ramon Crehuet @rcrehuet.bsky.social · 19/08/2026
Nanobodies can bind small-molecules with high affinity and knowing how well predictors perform is essential to design new nanobodies. Here Berta Bori-Bru tested a large set of predictors onto the (small) set of available PDB structures to see how they perform. academic.oup.com/peds/article...
academic.oup.com
Assessing structural prediction accuracy for nanobody–small molecule complexes
Abstract. Generative models have transformed structural bioinformatics, enabling antibody and nanobody design against protein epitopes; however, nanobody e
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Ramon Crehuet @rcrehuet.bsky.social · 18/08/2026
I'm glad to have contributed to the tribute to Joe Francisco, together with Josep Anglada. Maybe my last work on atmospheric chemistry 🥲 pubs.acs.org/jpcafh/colle... published in @pubs.acs.org
pubs.acs.org
Joseph S. Francisco Festschrift: Charting Molecular Pathways in Earth's Atmosphere | The Journal of Physical Chemistry A | ACS Publications
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Martin Pacesa @martinpacesa.bsky.social · 04/08/2026
We are looking for a lab manager starting from January 2027, you can find more information on our members page pacesalab.com#members. We are also starting to look into hosting master students starting 2027.
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Bettina Keller @bettinagkeller.bsky.social · 08/07/2026
📢 We're hiring a PhD student (4 years) in computational chemistry at Freie Universität Berlin. Research on molecular dynamics, molecular kinetics, rare events & machine learning. Apply by 3 Aug 2026: jobs.fu-berlin.de/job/Research... #CompChem
jobs.fu-berlin.de
Research assistant (praedoc) (f/m/d) DM-786
Research assistant (praedoc) (f/m/d) DM-786
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Ramon Crehuet @rcrehuet.bsky.social · 14/05/2026
Our work describing NEMAT: An Automated Nonequilibrium Free-Energy Framework for Predicting Ligand Affinity in Membrane Proteins is now in JCIM @acs.org pubs.acs.org/doi/10.1021/... It has a new logo and improvements from the reviewers. The code is open-source here github.com/QTC-IQAC/NEMAT
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Ramon Crehuet @rcrehuet.bsky.social · 04/05/2026
I love the logo! 😍 @feworkshop.bsky.social
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Laia Josa-Culleré @laiajosacullere.bsky.social · 22/04/2026
🔬 Postdoctoral opportunity in Medicinal Chemistry & Oncology We’re seeking an excellent candidate to apply for a Marie Curie Fellowship at IQAC-CSIC. At the Drug Discovery & Medicinal Chemistry Group, we develop innovative strategies to target cancer stem cells with high precision. #MSCA #Postdoc
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Ramon Crehuet @rcrehuet.bsky.social · 20/03/2026
If you are a grad or a MSc student ready to start you research career you can apply to JAE-Intro @csic.es fellowships. Our institute has several offers, and some in our group dealing with protein modelling, simulations and desing. Check the here: www.iqac.csic.es/scholarship-...
iqac.csic.es
Scholarship Introduction to a Research Career – IQAC – Institut de Química Avançada de Catalunya – CSIC
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Ramon Crehuet @rcrehuet.bsky.social · 02/03/2026
From now on, I've decided to use @anthropic.com Claude instead of openAI ChatGPT. I think that standing by ethical principles to defend democratic values is worth this little effort.
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Ramon Crehuet @rcrehuet.bsky.social · 08/01/2026
Now I mainly work with biomolecules, but atmospheric chemistry is where I started and few people realize the atmosphere also has a kind of metabolism, with feedback cycles and day-night changing fluxes. Sad that this line is discontinued at the IQAC @CSIC pubs.acs.org/doi/10.1021/...
pubs.acs.org
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Ramon Crehuet @rcrehuet.bsky.social · 19/12/2025
Forging young minds for the hard world of research. Thanks @publishgame.bsky.social for such a useful tool 😉
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Ramon Crehuet @rcrehuet.bsky.social · 16/12/2025
You’ve got a nanobody that binds a small molecule, but you’re not quite sure about its structure or its binding site? Can you trust AlphaFold 3? Or is it better to use Boltz-2 or Chai-1? Does it even matter if your nanobody sequence is similar to ones used during the training of these tools?
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Ramon Crehuet @rcrehuet.bsky.social · 12/12/2025
I am happy to announce the release of NEMAT: An Automated Non-Equilibrium Free-Energy Framework for Predicting Ligand Affinity in Membrane Proteins. Nice work by Albert Ortega-Bartolomé. Preprint: doi.org/10.64898/202... Code: github.com/QTC-IQAC/NEM...
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Fede Montes @fededevries.eurosky.social · 14/11/2025
En #BCNspiracy25, #INspiracy25 con @rcrehuet.bsky.social hablando de ciencia.
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Ramon Crehuet @rcrehuet.bsky.social · 22/10/2025
In our Synergy Day we've been trying to reinforce internal and external alliances to increase our impact. We hope to improve IQAC @csic.es quality and performance!
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Ramon Crehuet @rcrehuet.bsky.social · 01/10/2025
Looking forward to @albertescobedo.bsky.social seminar at IQAC @csic.es titled "Exploring the Protein Sequence Universe through Large-Scale Biophysics". If you are in the area, you're wellcome to join. www.linkedin.com/pulse/casp-s...
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Ramon Crehuet @rcrehuet.bsky.social · 25/09/2025
Enjoying the poster session of the @cecamevents.bsky.social workshop about AI in protein models. Great speakers and interesting discussions so far. www.cecam.org/workshop-det...
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Gabriele Corso @gcorso.bsky.social · 09/09/2025
Boltz v2.2.1 out. A few improvements including support for .pdb templates, better treatment of stereochemistry in guidance potentials, and improved documentation. As always a great thank you to all those in the community who contributed via PR, raising issues or directly reporting issues to us.
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IDPSeminars @idpseminars.bsky.social · 27/08/2025
🚨🚨IDPSeminars is BACK 🚨🚨 Season 19 (!) gets underway next week with @rohitpappu68.bsky.social and Meredith Jackrel! Date: Thur. Sept 4th Time: 1 pm EST [USA] / 7 pm CET [Europe] If you've previously signed up, you should be good to go, otherwise, please sign up at idpseminars.com
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Ramon Crehuet @rcrehuet.bsky.social · 08/08/2025
A good friend of mine is recruiting a post-doc. Go work with Enrique Marcos at @ibmb-csic.bsky.social @csic.es . Excellent researcher, great science: ibmb.csic.es/en/departmen...
ibmb.csic.es
Protein & Nucleic Acid Complexes & Molecular Machines Research Group | IBMB
We address DNA replication, DNA transcription, DNA translocation across cell membranes, DNA structures and drug targets from a structural approach.
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Ramon Crehuet @rcrehuet.bsky.social · 08/08/2025
Seen in the MDPI journal Int. J. Mol. Sci.:https://doi.org/10.3390/ijms26136246 What is exactly this? Was this properly reviewed?
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Reposted by Ramon Crehuet
John Feminella @jxf.me · 21/07/2025
ln(😅) = 💧ln(😄)
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Simon Olsson @smnlssn.bsky.social · 10/06/2025
The official opening to this position was just posted: www.chalmers.se/en/about-cha...
chalmers.se
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Nikolai Slavov @slavov-n.bsky.social · 05/06/2025
A case study on the challenges of evaluating AI predictions in biology and the implications for published results. 1/2 rachel.fast.ai/posts/2025-0...
rachel.fast.ai
Rachel Thomas, PhD - Deep learning gets the glory, deep fact checking gets ignored
an AI researcher going back to school for immunology
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Michele Invernizzi @invemichele.bsky.social · 09/05/2025
We have a job opening at Peptone.io for an ML researcher. Come help us find new ways to understand and drug intrinsically disordered proteins (IDPs), it's a very interesting and important problem! Link in the reply ↓
Overlayed configurations of a small molecule binding (?) to an unstructured protein
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Reposted by Ramon Crehuet
Jason Moore @moorejh.bsky.social · 07/05/2025
Parachute use to prevent death and major trauma related to gravitational challenge: systematic review of randomised controlled trials - BMJ www.bmj.com/content/327/... #clinicaltrials #causality
bmj.com
Parachute use to prevent death and major trauma related to gravitational challenge: systematic review of randomised controlled trials
Objectives To determine whether parachutes are effective in preventing major trauma related to gravitational challenge. Design Systematic review of randomised controlled trials. Data sources: Medline, Web of Science, Embase, and the Cochrane Library databases; appropriate internet sites and citation lists. Study selection: Studies showing the effects of using a parachute during free fall. Main outcome measure Death or major trauma, defined as an injury severity score > 15. Results We were unable to identify any randomised controlled trials of parachute intervention. Conclusions As with many interventions intended to prevent ill health, the effectiveness of parachutes has not been subjected to rigorous evaluation by using randomised controlled trials. Advocates of evidence based medicine have criticised the adoption of interventions evaluated by using only observational data. We think that everyone might benefit if the most radical protagonists of evidence based medicine organised and participated in a double blind, randomised, placebo controlled, crossover trial of the parachute.
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Ylva Ivarsson @ivarssonlab.bsky.social · 25/04/2025
Looking for a senior lecturer (associate #professor) position in #biochemistry? Come and join our neighbouring department at Uppsala University: www.uu.se/en/about-uu/...
uu.se
Senior lecturer in medical biochemistry - Uppsala University
Senior lecturer in medical biochemistry , Disciplinary Domain of Medicine and Pharmacy, Faculty of Medicine, Department of Medical Biochemistry and Microbiology, Uppsala University
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Matthieu Chavent @matthchavent.bsky.social · 23/04/2025
With my colleague @pierrepo.bsky.social , we have an open position related to the @lumen-eu.bsky.social project If you are interested by rendering MD data more FAIR and co-developing new discovery platform for MD and beyond please apply: en: emploi.cnrs.fr/Offres/CDD/U...
emploi.cnrs.fr
Portail Emploi CNRS - Offre d'emploi - Molecular Dynamics Simulation Data Engineer (M/F)
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Ramon Crehuet @rcrehuet.bsky.social · 07/04/2025
Do you know that sulfenic acids are present both in the atmosphere and in foods such as onions? In our latest work we study how these species are oxidated by the omnipresent OH radical and its cousin OOH. Work done at the IQAC @csic.es in collaboration with @upenn.edu and Université of Lorraine
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Ramon Crehuet @rcrehuet.bsky.social · 28/03/2025
And if you want to model this computationally, apply with me 😜
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Laia Josa-Culleré @laiajosacullere.bsky.social · 28/03/2025
📢 We are seeking candidates to apply for the PhD fellowship FI-STEP from AGAUR with us! 💊 You will work on #MedChem projects for cancer, combining organic chemistry and some biology. 🌍 Due to the call's requirements, you must have European citizenship. Get in touch!
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Ramon Crehuet @rcrehuet.bsky.social · 05/03/2025
Great new group at the IQAC!
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Ramon Crehuet @rcrehuet.bsky.social · 21/02/2025
After exploring protein landscapes with @paulrobustelli.bsky.social on Tuesday, today we explored Catalan landscapes
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Ramon Crehuet @rcrehuet.bsky.social · 12/02/2025
If you are an undergrad or MSc student and you have good qualifications, you can apply to a @csic.es JAE-Intro fellowship. If interested in protein simulaiton and design, contact me by DM. Please retweet.
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Tristan Bepler @tbepler.bsky.social · 11/02/2025
Excited to share PoET-2, our next breakthrough in protein language modeling. It represents a fundamental shift in how AI learns from evolutionary sequences. 🧵 1/13
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Ramon Crehuet @rcrehuet.bsky.social · 11/02/2025
@xsalvatella1.bsky.social I thought you may be interested
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Claudia Alvarez Carreño @claudiaalcar.bsky.social · 29/01/2025
Join the ProSE Seminar Series! A monthly discussion on the #Evolution of #ProteinStructure 🧪 Next up: Andrei Lupas “Highly repetitive genomic ORFs: a source of new fibrous proteins?” 11th February | 3 PM GMT 🔗 Register here: tinyurl.com/prose-seminar1
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Ramon Crehuet @rcrehuet.bsky.social · 28/01/2025
A question to @biorxivpreprint.bsky.social readers: recently the links in the email content alerts have stopped working. The emails contain links to the abstracts such as this one: www.biorxiv.org/cgi/content/... And they don't work. Is it only me? 🤔
biorxiv.org
bioRxiv
Welcome to the bioRxiv homepage.
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Kresten Lindorff-Larsen @lindorfflarsen.bsky.social · 26/01/2025
Ten simple rules for developing good reading habits during graduate school and beyond To me, the most important are: Read often, read broadly (incl. older papers and outside your field), and learn to read some papers in detail and others more superficially (and quickly)
Ten simple rules for developing good reading habits during graduate school and beyond by Marcos Méndez
1: Develop the habit of reading on a daily basis
2: Read thoroughly to build a sound background understanding of your topic
3: Do not ignore the pillars of your discipline; read the classics
4: If you have to get familiar with a new topic, consider reading in chronological order
5: Avoid narrow-mindedness by reading beyond your discipline
6: Create a list of relevant journals
7: Not all interesting stuff will appear in articles; read books
8: Use a reference manager to keep track of your literature
9: Keep a long-term review for your own use as a way to remember what you read
10: Build your own library to make yourself independent and inspire others
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Jan H. Jensen @janhjensen.bsky.social · 17/01/2025
Associate professor or Tenure-track assistant professor in computational drug development, U Copenhagen 🇩🇰 employment.ku.dk/faculty/?sho... #compchem
employment.ku.dk
163163 Associate professor or Tenure-track assistant professor in computational drug development
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Plataforma Ciències en perill @cienciaenlluita.bsky.social · 28/12/2024
📊 No és màgia, és ciència! 👉🏽 Els resultats de Catalunya en ciències a proves independents són preocupants. Curiosament🙄, altres CCAA amb millors resultats dediquen més hores a aquestes matèries. Prou invents: És hora de posar la formació científica al centre #cienciesenperill
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Plataforma Ciències en perill @cienciaenlluita.bsky.social · 18/12/2024
Ens ajudeu? Per una educació científica de qualitat - ¡Firma la petición! chng.it/skqb9bMPcv via @change_es
chng.it
Firma la petición
Per una educació científica de qualitat
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Ramon Crehuet @rcrehuet.bsky.social · 18/12/2024
In Catalonia, all science subjects are losing teaching hours in high school. This is a recipe for disaster.
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Ramon Crehuet @rcrehuet.bsky.social · 11/06/2024
We thought that Diffdock did not consider side chain positions when docking, but apparently it does. github.com/gcorso/DiffD... Did we get something wrong, @hannes-stark.bsky.social @gcorso.bsky.social ?
github.com
Side chains relevance in DiffDock predictions · Issue #232 · gcorso/DiffDock
Analysing the docking performance of a protein predicted with different folding programs. I realised that the side chains configurations were playing a role in DiffDock prediction. It repeatedly ap...
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Ramon Crehuet @rcrehuet.bsky.social · 16/04/2024
Sh**! I'm afraid I have more impact with my google reviews than with my scientific papers... 😭
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Ramon Crehuet @rcrehuet.bsky.social · 21/02/2024
Here is my first post on bluesky, explaining my first paper on protein design. A fruitful collaboration with Anders Hansen, Frederik Theisen and Martin Willemöes (Univ. of Copenhagen) Enrique Marcos (IBMB, CSIC) and Nushin Aghajari (Univ. of Lyon 1). pubs.acs.org/doi/10.1021/...
pubs.acs.org
Carving out a Glycoside Hydrolase Active Site for Incorporation into a New Protein Scaffold Using Deep Network Hallucination
Enzymes are indispensable biocatalysts for numerous industrial applications, yet stability, selectivity, and restricted substrate recognition present limitations for their use. Despite the importance ...
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