Episode 29 of the Phase Space Invaders #podcast features Jérôme Hénin @jerome-henin.bsky.social! Give it a listen on Spotify or other podcasting platforms: open.spotify.com/episode/23q9...

Another episode of Phase Space Invaders is out, and today, my guest number 28 is Yuji Sugita! You can find the #podcast on all platforms, including Spotify and Apple Podcasts: buzzsprout.com/2313153 In the conversation, we cover the birth of replica exchange simulations, ...

Phase Space Invaders' episode 27 is now online, featuring Kresten Lindorff-Larsen @lindorfflarsen.bsky.social! Listen to it on Spotify or other platforms: www.buzzsprout.com/2313153

Phase Space Invaders episode 26 is here, and this week I'm talking to Pratyush Tiwary! Listen to the podcast on Spotify or your favorite app: www.buzzsprout.com/2313153

#PCBCommunity |🍰 Aquest matí, els #PCBakers han celebrat l’ #Endorfest en suport de la investigació per l’ #endometriosi, una malaltia ginecològica que afecta el 10% de les dones en edat fèrtil a Espanya🌸. Els fons recaptats es destinaran a la recerca que porta a terme @hospitalclinic.bsky.social 🤝

It took a while, but... the podcast is back! In episode 25, and opening season 4 of Phase Space Invaders, my guest is Ivet Bahar - find our conversation on Spotify, or check for other platforms on Buzzsprout: www.buzzsprout.com/2313153

This is a great tool for blind exploration of chemical/conformational space, try it out!

Unveiling the Complete Spectrum of SARS-CoV-2 Fusion Stages by In Situ Cryo-ET https://www.biorxiv.org/content/10.1101/2025.02.25.640151v1

Impressive scaling of Gromacs! Quite notably though, there's almost a hard performance limit at small systems sizes. With a 4fs time step, 1-1.5 microsecond/day seems to be the new standard, at which point it only makes sense to invest in more replicas

The paper on ORCA 6’s Global Optimization Algorithm GOAT is finally published at Angewandte Chemie! Feel free to try Bernardo's (@bernadsz.bsky.social) algorithm to generate conformer ensembles and much more. doi.org/10.1002/anie... Tutorial on GOAT: www.faccts.de/docs/orca/6.... #ORCAqc #ChemSky

Although barely discussed outside neurology, cerebral small vessel disease is a major aging-related driver of stroke, dementia, and disability🧠 It is a major public health concern without an available treatment📈 Huge unmet clinical need❗️

Incredible that whenever an otherwise user-friendly service gets taken over by @microsoft.com, it turns into hell on Earth. And it's literally every single one of them - that takes dedication! 🧐

This isn't a surprising but it is devastating. The great betrayal of Ukraine begins. We, in Europe, are in a place of danger. We all owe Ukraine & its people a debt of gratitude for its extraordinary courage. 😢

Who's going to #BPS2025? Please join us at the MGO Symposium @mgo-bps.bsky.social on Saturday 1:30 pm Room 511ABC Featuring experiments, simulations, and all the scales by @serenasanulli.bsky.social @melikel.bsky.social @maristizabal.bsky.social @janhuemar.bsky.social and more Please repost! 🚀✨

I got DeepSeek to give a decent and objective summary of the various takes on Taiwan's legal status, and when it finished, it immediately switched to "Sorry, that's beyond my current scope. Let’s talk about something else." Looks like a cheap censorship patch added at post-inference 🙃

In my latest podcast commentary, I was arguing our field needs initiatives like this one: journalclub.io It's harder and harder to catch up with the literature, and AI summaries are still not good enough, but I'd genuinely pay a small fee to have a weekly review of coolest papers in biophysics 🙌

📢 Our new paper in #SciAdv on #Bayesian electron density determination from single-molecule #X-ray scattering is out! 🧐 High resolutions can be achieved from #XFEL exp at low S/N ratios using less than 50 #photons per image! 🔗https://www.science.org/doi/10.1126/sciadv.adp4425 @mpi-nat.bsky.social

Looking to curate your own private feed that also helps you discover new voices? I highly recommend the DISCOVER feed. You can mark what kind of posts you like and don't like by clicking on 3 dots at bottom right. Thanks @why.bsky.team! More: publish.obsidian.md/debbieohi/cu... #BlueSkyTips

With the end of season 3, I'm summarizing the last 8 conversations at Phase Space Invaders to capture the most inspiring bits from each interview, and looking back at a whole year of recording. Listen on Spotify or any other platform: www.buzzsprout.com/2313153

Molecular simulations or AI models produce ever larger and more complex datasets. Comparing different conditions to find meaningful patterns is a bottleneck for many projects. We address this with PENSA, a flexible open-source analysis library. Now out in JCP: doi.org/10.1063/5.02... 🧪 #CompChem

Favourite paper of 2016 "Design and synthesis of a minimal bacterial genome" by Hutchison et al. (1/3) www.science.org/doi/10.1126/...

Wrapping up the year 📆, and season 3, at Phase Space Invaders is my conversation with Katarzyna Marcinkiewicz, a senior editor at Nature Communications @naturecomms.bsky.social! Listen to episode 24 🎧 on Spotify and other podcasting platforms: www.buzzsprout.com/2313153

The best environment for tool dev is when your labmates come up with ridiculous requests like "hey I want to turn off the attractive part of LJ between these two base pairs only". Turns out that's just 5 minutes of scripting with Gromologist 🧙‍♂️

Looking back at 2024, I guess no scientific achievement comes close to finally configuring the institutional VPN on Ubuntu 🧑‍🔧

The latest episode 23 of Phase Space Invaders features Zoe Cournia as a guest! Find it on Spotify or other platforms: www.buzzsprout.com/2313153

One thing I love about working at the IRB is our Interdisciplinary Rock Band. Over 3 years playing with these folks, students to PIs, and it never ceases to be pure fun ❤️

I swear Bowie's "I'm a space invader" line here had nothing to do with the podcast 🤐 ...but finally seeing this band live after 10 years made me appreciate what a gold mine the Swedish musical scene has been 👩‍🎤 open.spotify.com/album/1z09JU...

Do you want to work at the interface of molecular simulations, structural biology experiments and #AI? Come to Paris for a PhD at @pasteur.fr 1 PhD position is available in our lab funded by ERC_Research. Please repost!! #compchem #compbio Info 👇 research.pasteur.fr/b/15Hr

In episode 22 of Phase Space Invaders 🎙️, I'm talking to Lucie Delemotte @delemottelab.bsky.social! Listen to our conversation on Spotify or other podcast platforms: open.spotify.com/episode/1Yeg...

(1/3) The podcast is back, and blu-skeet'd for the first time! Episode 21 of Phase Space Invaders features Tamar Schlick as a guest, you can listen to it on Spotify or other platforms: open.spotify.com/episode/0TGl...

And the main conclusions for this years multimer predictions

Instead of complaining about how our ITS is not providing VPN support for Ubuntu, I thought of some positive notes to end the week on: - back to recording the podcast! 🙌 - after years, finally found a stable version of Avogadro ⚛️ - the comp bio community seems to re-emerge here 🐣

Want to make beautiful scientific figures? Easy! The NIH released a library of 2000+ free scientific illustrations called *BioArt*. Check it out! bioart.niaid.nih.gov #AcademicSky #PsychSciSky 🧠🟦 🧪