Happy to share our recent work bridging #highpressureNMR and #MDsimulation to highlight an allosteric pathway between lipid bulk properties and conformational changes at the core of a membrane protein. doi.org/10.1016/j.bp... @icsnlab.bsky.social @cpcv.bsky.social @cnrs.fr #UnderPressure

Wonderful collaboration with L. Catoire (BPM-IBPC), @jerome-henin.bsky.social (LBT-IBPC) and G. Stirnemann (CPCV). Congrats to Clarisse Fourel and @yannagautier.bsky.social‬ for their excellent work and first paper and to F. Giraud and A. Pozza for their strong expertise ! #happyPhDsupervisor

Traveling to the UK...

- Are you a member of a terrorist group? That's an easy one.

- Have you ever been *suspected* of *expressing* extremist *views*?

By whom? How would I know? What kind of views?

My views about food can be intense - some might call them extreme. Do I qualify?

So, for those killed and those whose voices are silenced: what more evidence do you need?

Will you act now – decisively – to prevent genocide in Gaza and to ensure respect for international humanitarian law?

This Council must prevail. Demand this ends.

Six women programmed ENIAC, in a foundational contribution to computing and programming - and then they were nearly forgotten.
Betty Holberton, Jean Bartik, Kay McNulty, Ruth Teitelbaum, Marlyn Meltzer, and Frances Spence.
threadreaderapp.com/thread/19096...

🚨 Preprint! We combine our recent open dataset of #APC prices with the article counts per journal-year from #OpenAlex to estimate how much the academic community has paid in APCs over the last 5 years.

A. $8.349 billion ($8.968 B in 2023 USD)

$2.5B in 2023 alone.

arxiv.org/abs/2407.16551 #metasci

«No Other Land»

Regi: Basel Adra, Yuval Abraham, Rachel Szor og Hamdan Balal
Documentary

youtu.be/7AS6v3hC86Q?...

Job alert ! I am looking for a postdoc to work on "computational investigation of ion-effects in ribozyme catalysis" to work with me in Paris (France). 1-year contract funded by @agencerecherche.bsky.social, with possible 2nd year in collab. with P. Jungwirth @iocbprague.bsky.social #compchem #RNA

Hadrien Vroylandt is starting his group at the University of Caen and hiring grad students and postdocs in physical and computer sciences to work on AI for science: vroylandt.users.greyc.fr

Pass it on.
#StandWithUkraine

Two conclusions I draw from this:
1) try linear ML first, and if it does the job, stick with it.
2) whenever using ML, keep in mind exactly what is being optimized (and if that's too complicated to keep in mind, maybe stay away from that method).
simplystatistics.org/posts/2024-1...

🚨 Announcing the 1st Colvars Dashboard mini-workshop 🚨

(an interactive VMD tool to explore MD data in collective variable space)

Aims: discuss use cases, tips, feedback, and ideas for further development.

Online event on Jan 17 2025.

Details and registration: forms.gle/yTq3C8kHER8i...

Le LBT se cherche un·e administrateurice systèmes et réseaux. Pour le moment le poste est ouvert en NOEMI (mobilité), donc si vous êtes déjà en poste et souhaitez nous rejoindre, c'est par ici !
mobiliteinterne.cnrs.fr/ords/afip/ow...

Tomorrow are starting our #LBTdays2024 on challenges in biomolecular simulations, that we organize in Paris at #IBPC. We have a fantastic lineup of speakers, can't wait for it to start ! #compchem @cnrs.bsky.social @cecamevents.bsky.social

#LBTdays2024 fully updated program, with all titles. See you there tomorrow !

📣 Save the date for the 9th PCI webinar: 5/12/24 at 4 pm CET: How much is too much? Estimating APCs and questioning sustainability by Leigh-Ann Butler (Scholarly Communication Librarian, University of Ottawa). Mandatory registration:

New reference paper for the Colvars library is out! Collective variables at your fingertips in software from Gromacs to VMD.
pubs.acs.org/doi/abs/10.1...