Molecular Ocean Lab
@molecularocean.bsky.social
molecular simulations lab in between ICM and IQAC at @CSIC.es | investigating the molecular dimension of life, one atom at the time | don't follow us, we are lost too | led by F Colizzi
Pinned
What seems like just another visit from a scientist to a primary school turns out to be an explosion of enthusiasm (and reward) when the time to put on the 3D glasses arrives!
Thank you!
images from: www.instagram.com/escoladoctor...
Thank you!
images from: www.instagram.com/escoladoctor...
Reposted by Molecular Ocean Lab
#UniBarcelona | 📚 Descobreix el projecte Apel·les Infantil d’Òmnium Eixample i @idp-ub.bsky.social per impulsar la creativitat i la llengua catalana entre els més petits.
➡️ Amb el conseller de Política Lingüística, Francesc Xavier Vila
🗓️ Dimecres 14 de gener
🕛 18:00
📍 Edifici Històric, Aula Magna
➡️ Amb el conseller de Política Lingüística, Francesc Xavier Vila
🗓️ Dimecres 14 de gener
🕛 18:00
📍 Edifici Històric, Aula Magna
Acte presentació Apel·les Infantil | Òmnium Cultural
Òmnium Cultural | Llengua Cultura País
www.omnium.cat
January 13, 2026 at 11:28 AM
#UniBarcelona | 📚 Descobreix el projecte Apel·les Infantil d’Òmnium Eixample i @idp-ub.bsky.social per impulsar la creativitat i la llengua catalana entre els més petits.
➡️ Amb el conseller de Política Lingüística, Francesc Xavier Vila
🗓️ Dimecres 14 de gener
🕛 18:00
📍 Edifici Històric, Aula Magna
➡️ Amb el conseller de Política Lingüística, Francesc Xavier Vila
🗓️ Dimecres 14 de gener
🕛 18:00
📍 Edifici Històric, Aula Magna
Reposted by Molecular Ocean Lab
#Iran executed an astronomical number of protestors in the 80s. The true number will likely never be known, but thousands in the 1980s alone. They plan to start mass executions from tomorrow (Wednesday). Time is running out. If you say nothing, history will judge you.
www.hrw.org/news/2022/06...
www.hrw.org/news/2022/06...
Iran’s 1988 Mass Executions
In 1988, Iranian authorities, acting on the orders of Supreme Leader Ayatollah Khomeini, summarily and extrajudicially executed thousands of political prisoners across the country. Human Rights Watch ...
www.hrw.org
January 13, 2026 at 11:33 AM
#Iran executed an astronomical number of protestors in the 80s. The true number will likely never be known, but thousands in the 1980s alone. They plan to start mass executions from tomorrow (Wednesday). Time is running out. If you say nothing, history will judge you.
www.hrw.org/news/2022/06...
www.hrw.org/news/2022/06...
The world’s next drug-resistant bacteria could be deadlier than cancer. Our best hope to save lives may be … AI.
www.sfchronicle.com/projects/202...
www.sfchronicle.com/projects/202...
No one is safe from the world’s next superbugs. Is this new science the solution?
Old antibiotics are losing effectiveness — and new ones aren’t being discovered fast enough. Our best hope to save lives may be AI.
www.sfchronicle.com
December 12, 2025 at 9:44 PM
The world’s next drug-resistant bacteria could be deadlier than cancer. Our best hope to save lives may be … AI.
www.sfchronicle.com/projects/202...
www.sfchronicle.com/projects/202...
Reposted by Molecular Ocean Lab
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...
Preprint: doi.org/10.64898/202...
Code: github.com/QTC-IQAC/NEM...
December 12, 2025 at 12:11 PM
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...
Preprint: doi.org/10.64898/202...
Code: github.com/QTC-IQAC/NEM...
Reposted by Molecular Ocean Lab
If you are interested in joining the project as a postdoctoral researcher in computational RNA biophysics, integrative modelling, molecular dynamics, HPC, software development, or related areas, #joinus at www.bussilab.org/fis3
RNAScale
Exploring RNA Dynamics across Scales
www.bussilab.org
November 28, 2025 at 1:35 PM
If you are interested in joining the project as a postdoctoral researcher in computational RNA biophysics, integrative modelling, molecular dynamics, HPC, software development, or related areas, #joinus at www.bussilab.org/fis3
Reposted by Molecular Ocean Lab
A key component will be the further development and benchmarking of methods within @plumed.org , our community-driven platform for enhanced sampling and integrative molecular simulations, providing efficient high-performance workflows.
November 28, 2025 at 1:35 PM
A key component will be the further development and benchmarking of methods within @plumed.org , our community-driven platform for enhanced sampling and integrative molecular simulations, providing efficient high-performance workflows.
Reposted by Molecular Ocean Lab
🎉Our group has been awarded a prestigious #FIS grant! #RNAScale - Exploring RNA Dynamics across Scales: From Base Pairs to Viral Genomes 👉 www.bussilab.org/fis3
We will soon open postdoctoral positions across several components of the project! An expression-of-interest form is already online.
We will soon open postdoctoral positions across several components of the project! An expression-of-interest form is already online.
RNAScale
Exploring RNA Dynamics across Scales
www.bussilab.org
November 28, 2025 at 1:35 PM
🎉Our group has been awarded a prestigious #FIS grant! #RNAScale - Exploring RNA Dynamics across Scales: From Base Pairs to Viral Genomes 👉 www.bussilab.org/fis3
We will soon open postdoctoral positions across several components of the project! An expression-of-interest form is already online.
We will soon open postdoctoral positions across several components of the project! An expression-of-interest form is already online.
Reposted by Molecular Ocean Lab
I will likely be recruiting a new postdoc early next year, working on protein allostery (can be either method development or applications). Please reach out to my GT email address if interested.
September 8, 2025 at 12:57 PM
I will likely be recruiting a new postdoc early next year, working on protein allostery (can be either method development or applications). Please reach out to my GT email address if interested.
📣 New preprint out! We are zooming in on the molecular determinants and energetics that limit PETase activity on crystalline PET: it requires high energy both to reach reactive configurations and to separate its chains.
Feedback is welcome. Submission in two weeks.
lnkd.in/d3MCJhEg
Feedback is welcome. Submission in two weeks.
lnkd.in/d3MCJhEg
Energetic Constraints in the Enzymatic Depolymerization of Crystalline PET
Polyethylene terephthalate (PET) is a widely used thermoplastic whose high crystallinity poses a major barrier to upscaling enzymatic recycling. While PETases with high activity and stability have bee...
www.biorxiv.org
December 6, 2025 at 11:45 PM
📣 New preprint out! We are zooming in on the molecular determinants and energetics that limit PETase activity on crystalline PET: it requires high energy both to reach reactive configurations and to separate its chains.
Feedback is welcome. Submission in two weeks.
lnkd.in/d3MCJhEg
Feedback is welcome. Submission in two weeks.
lnkd.in/d3MCJhEg
After decades of whispering, proteins have started talking to me!
October 13, 2025 at 11:36 PM
After decades of whispering, proteins have started talking to me!
Reposted by Molecular Ocean Lab
🏅 El #CSIC anuncia los vídeos ganadores del concurso ‘Yo investigo. Yo soy CSIC’
📹 Los vídeos están protagonizados por personal investigador en formación que explica su trabajo en clave divulgativa
👉 https://f.mtr.cool/cmzsvlcaqn
📹 Los vídeos están protagonizados por personal investigador en formación que explica su trabajo en clave divulgativa
👉 https://f.mtr.cool/cmzsvlcaqn
October 8, 2025 at 5:04 PM
🏅 El #CSIC anuncia los vídeos ganadores del concurso ‘Yo investigo. Yo soy CSIC’
📹 Los vídeos están protagonizados por personal investigador en formación que explica su trabajo en clave divulgativa
👉 https://f.mtr.cool/cmzsvlcaqn
📹 Los vídeos están protagonizados por personal investigador en formación que explica su trabajo en clave divulgativa
👉 https://f.mtr.cool/cmzsvlcaqn
Reposted by Molecular Ocean Lab
A review reporting on the discussions held at the recent @cecamevents.bsky.social workshop on enzymatic plastic degradation that we co-organized in Trieste is now available on #arxiv
The paper highlighting key insights, future challenges, and research priorities identified during our recent CECAM workshop in Trieste is now available online. Take a look to see what’s coming next in the field of enzymatic plastic degradation:
arxiv.org/abs/2507.14413
Many thanks, everyone!
arxiv.org/abs/2507.14413
Many thanks, everyone!
Computations Meet Experiments to Advance the Enzymatic Depolymerization of Plastics One Atom at a Time
Plastics are essential to modern life, yet poor disposal practices contribute to low recycling rates and environmental accumulation-biological degradation and by-product reuse offer a path to mitigate...
arxiv.org
July 22, 2025 at 2:18 PM
A review reporting on the discussions held at the recent @cecamevents.bsky.social workshop on enzymatic plastic degradation that we co-organized in Trieste is now available on #arxiv
The paper highlighting key insights, future challenges, and research priorities identified during our recent CECAM workshop in Trieste is now available online. Take a look to see what’s coming next in the field of enzymatic plastic degradation:
arxiv.org/abs/2507.14413
Many thanks, everyone!
arxiv.org/abs/2507.14413
Many thanks, everyone!
Computations Meet Experiments to Advance the Enzymatic Depolymerization of Plastics One Atom at a Time
Plastics are essential to modern life, yet poor disposal practices contribute to low recycling rates and environmental accumulation-biological degradation and by-product reuse offer a path to mitigate...
arxiv.org
July 22, 2025 at 11:03 AM
The paper highlighting key insights, future challenges, and research priorities identified during our recent CECAM workshop in Trieste is now available online. Take a look to see what’s coming next in the field of enzymatic plastic degradation:
arxiv.org/abs/2507.14413
Many thanks, everyone!
arxiv.org/abs/2507.14413
Many thanks, everyone!
Reposted by Molecular Ocean Lab
Thank you @briannaabbott.bsky.social for this wonderful piece, and highlighting what the MIT MAESTRO study means to our participants!
I love that my quote was about HOPE. I KNOW that this is a solvable problem. We need to work together to fix it!
www.wsj.com/health/chron...
I love that my quote was about HOPE. I KNOW that this is a solvable problem. We need to work together to fix it!
www.wsj.com/health/chron...
Chronic Lyme Disease Was Once Dismissed. More Doctors Are Coming Around.
Newer trials are starting to track Lyme patients and investigate potential treatments
www.wsj.com
July 20, 2025 at 3:25 PM
Thank you @briannaabbott.bsky.social for this wonderful piece, and highlighting what the MIT MAESTRO study means to our participants!
I love that my quote was about HOPE. I KNOW that this is a solvable problem. We need to work together to fix it!
www.wsj.com/health/chron...
I love that my quote was about HOPE. I KNOW that this is a solvable problem. We need to work together to fix it!
www.wsj.com/health/chron...
Comparison of Molecular Recognition in Docking Versus Experimental CSD and PDB Data | Journal of Chemical Information and Modeling pubs.acs.org/doi/10.1021/...
pubs.acs.org
July 21, 2025 at 7:54 AM
Comparison of Molecular Recognition in Docking Versus Experimental CSD and PDB Data | Journal of Chemical Information and Modeling pubs.acs.org/doi/10.1021/...
Reposted by Molecular Ocean Lab
Great news from the @crg.eu on @monicabettencourt.bsky.social appointment as the new director. This is excellent for the CRG and for catalan #science, for Monica is an excellent choice and a leader to a bright scientific future! #womeninscience
Happy to be the next (and 1st female) @crg.eu director. The CRG always stood out to me, for its excellence in understanding life's principles, with implications for health and biodiversity, & its collaborative, open and innovative way of doing science. Thrilled to join its amazing community in 2026!
July 2, 2025 at 12:41 PM
Great news from the @crg.eu on @monicabettencourt.bsky.social appointment as the new director. This is excellent for the CRG and for catalan #science, for Monica is an excellent choice and a leader to a bright scientific future! #womeninscience
Reposted by Molecular Ocean Lab
Excellent piece by @julieparsonnet.bsky.social on infectious diseases as root causes of a number of chronic human diseases; pausing research on bacterial and viral infections will limit efforts to cure neurodegeneration, autoimmune, metabolic disease as well as cancer
substack.com/inbox/post/1...
substack.com/inbox/post/1...
Infections cause everything
Another reason why RFK Jrs. MAHA plan is misguided
substack.com
May 30, 2025 at 4:29 PM
Excellent piece by @julieparsonnet.bsky.social on infectious diseases as root causes of a number of chronic human diseases; pausing research on bacterial and viral infections will limit efforts to cure neurodegeneration, autoimmune, metabolic disease as well as cancer
substack.com/inbox/post/1...
substack.com/inbox/post/1...
Reposted by Molecular Ocean Lab
🤯 Implications for OLE RNA as a natural integral membrane RNA from Ron Breaker's lab rnajournal.cshlp.org/content/earl...
May 23, 2025 at 8:21 PM
🤯 Implications for OLE RNA as a natural integral membrane RNA from Ron Breaker's lab rnajournal.cshlp.org/content/earl...
Reposted by Molecular Ocean Lab
Thanks to the organizers for the invitation: Francesco Colizzi (
@molecularocean.bsky.social ) Paula Blazquez-Sanchez and Giovanni Busi. It was fantastic!
@molecularocean.bsky.social ) Paula Blazquez-Sanchez and Giovanni Busi. It was fantastic!
May 12, 2025 at 4:12 PM
Thanks to the organizers for the invitation: Francesco Colizzi (
@molecularocean.bsky.social ) Paula Blazquez-Sanchez and Giovanni Busi. It was fantastic!
@molecularocean.bsky.social ) Paula Blazquez-Sanchez and Giovanni Busi. It was fantastic!
Bonobos, our closest living relatives, exhibit communication that shares more structural similarities with human language than previously recognized.
www.science.org/doi/10.1126/...
www.science.org/doi/10.1126/...
Extensive compositionality in the vocal system of bonobos
Compositionality, the capacity to combine meaningful elements into larger meaningful structures, is a hallmark of human language. Compositionality can be trivial (the combination’s meaning is the sum ...
www.science.org
April 9, 2025 at 4:41 PM
Bonobos, our closest living relatives, exhibit communication that shares more structural similarities with human language than previously recognized.
www.science.org/doi/10.1126/...
www.science.org/doi/10.1126/...
Reposted by Molecular Ocean Lab
Trois de nos plus grands scientifiques, Yasmine Belkaid (@pasteur.fr), Bana Jabri (@institutimagine.bsky.social) et Alain Puisieux (@institutcurie.bsky.social), prennent la parole pour appeler à des réponses courageuses des pouvoirs publics face aux attaques contre la recherche. ⬇️
April 8, 2025 at 4:07 PM
Trois de nos plus grands scientifiques, Yasmine Belkaid (@pasteur.fr), Bana Jabri (@institutimagine.bsky.social) et Alain Puisieux (@institutcurie.bsky.social), prennent la parole pour appeler à des réponses courageuses des pouvoirs publics face aux attaques contre la recherche. ⬇️
Reposted by Molecular Ocean Lab
This article does a great job describing the lives of young American scientists:
“You roll up your sleeves, try to make or discover something useful and then let the scientific community try to punch holes in your work to make sure that it’s sound”
“You roll up your sleeves, try to make or discover something useful and then let the scientific community try to punch holes in your work to make sure that it’s sound”
www.nytimes.com/2025/04/03/o...
Really important piece to share widely. Too many Americans don’t know how severe a threat this Administration poses to our scientific infrastructure, global leadership, and health security
Really important piece to share widely. Too many Americans don’t know how severe a threat this Administration poses to our scientific infrastructure, global leadership, and health security
Opinion | The Uncertain Fate of the Young American Scientist (Gift Article)
Young researchers are choosing between staying in science and staying in the United States.
www.nytimes.com
April 4, 2025 at 6:00 PM
This article does a great job describing the lives of young American scientists:
“You roll up your sleeves, try to make or discover something useful and then let the scientific community try to punch holes in your work to make sure that it’s sound”
“You roll up your sleeves, try to make or discover something useful and then let the scientific community try to punch holes in your work to make sure that it’s sound”
Reposted by Molecular Ocean Lab
This sound familiar: “However, it turns out that travel agencies charge far more than it would cost an academic to arrange their own travel and accommodation—sometimes staggeringly more”
With Academia under financial pressure, this article hits home. It is time to focus on our core objectives and purpose. academic.oup.com/brain/articl... 🥽🍎🧪
On the responsibilities of intellectuals and the rise of bullshit jobs in universities
You may never have considered yourself to be one. Why would you? But if you’re reading this, there is more than a likelihood that you are one. If you’re a
academic.oup.com
April 5, 2025 at 6:13 PM
This sound familiar: “However, it turns out that travel agencies charge far more than it would cost an academic to arrange their own travel and accommodation—sometimes staggeringly more”
Only a few days left to secure your spot at the most groundbreaking conference in the world! 😎 (Okay, maybe not 𝘵𝘩𝘢𝘵 much, but it’s going to be fun). Don’t miss out—register now before the deadline hits!
Outstanding list of speakers, and talks, and posters:
www.cecam.org/workshop-det...
Outstanding list of speakers, and talks, and posters:
www.cecam.org/workshop-det...
April 3, 2025 at 5:05 PM
Only a few days left to secure your spot at the most groundbreaking conference in the world! 😎 (Okay, maybe not 𝘵𝘩𝘢𝘵 much, but it’s going to be fun). Don’t miss out—register now before the deadline hits!
Outstanding list of speakers, and talks, and posters:
www.cecam.org/workshop-det...
Outstanding list of speakers, and talks, and posters:
www.cecam.org/workshop-det...