iiinova — where your digital self keeps evolving

Reposted by @paulschanda.bsky.social

Institute of Science and Technology Austria (ISTA) @istaresearch.bsky.social · 03/09/2026

With projects on AI, astrophysics, bacterial immune systems, quantum matter, and optics, five ISTA researchers have secured €9.2 million in highly selective Starting Grants from the ERC @erc.europa.eu. Read: ista.ac.at/en/news/e9-2-million-in-…

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paulschanda.bsky.social @paulschanda.bsky.social · 30/08/2026

And congrats to the members of our group who got prizes for best poster/best junior talk at ICMRBS Fede Napoli @iomichiamofede.bsky.social showed dynamics of a large allosteric enzyme with solution+solids #NMR + cryoEM. Agnes Eck showed her approach to improve MAS NMR spectra with machine learning

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paulschanda.bsky.social @paulschanda.bsky.social · 30/08/2026

The ICMRBS conference in Davos has been fantastic. Relaxed atmosphere, top science, great opportunities to connect. I'm happy to be part of the #NMR community, a supportive & friendly crowd. Thanks @icmrbs2026.bsky.social for everything! The (short) bike trip back was a nice way to finish the week.

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paulschanda.bsky.social @paulschanda.bsky.social · 20/08/2026

Glad to see it finally rains in the Alps, while cycling to Davos @icmrbs2026.bsky.social. Nature desperately needed water. (On my bike, I was a bit less in desperate need of water, though... ) Beautiful scenery even in clouds.

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paulschanda.bsky.social @paulschanda.bsky.social · 19/08/2026

But don't I "have to"travel to lots of conferences for my job?, some colleagues would ask? I don't know. Maybe I was lucky (surely), but the fact that I went overseas "only" 6 times in 20+ years of career in NMR did not impact my career. Lucky? Not generally true? Maybe. Again, tough choices.

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paulschanda.bsky.social @paulschanda.bsky.social · 19/08/2026

Basically this means that if I take this budget seriously, if I go to the US every year, I exhausted the annual limit within a day. Eating? Heating? Housing? Doing research? Well I may, but not if I take the carbon budget seriously. So where are my priorities? Or do I just not care? Tough choices.

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paulschanda.bsky.social @paulschanda.bsky.social · 19/08/2026

When it comes to climate change, I think the idea of a "per person carbon budget" is a rather useful one. IPCC estimates say that every human shall not emit > 3-4 tons per year if we want to stay below 2° warming (with all the mess that this already creates). 4 t CO2 is a round trip to the US.

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paulschanda.bsky.social @paulschanda.bsky.social · 19/08/2026

With a couple of new impressions (Italy - damn, my Italian is still not quite up to speed- ) I take the liberty to share a few more thoughts about conference travel. 🧵

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paulschanda.bsky.social @paulschanda.bsky.social · 19/08/2026

Great, looking forward. I think it will be a nice conference.

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paulschanda.bsky.social @paulschanda.bsky.social · 19/08/2026

On my way to @icmrbs2026.bsky.social. From Austria through beautiful Slovenia, and the Dolomites. Looking forward to a nice conference. When I see the terribly dry Alps, I have mixed feelings about these conferences that bring together people from around the world. But clearly, they are useful.

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paulschanda.bsky.social @paulschanda.bsky.social · 19/08/2026

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Reposted by @paulschanda.bsky.social

Stephanie Wankowicz @stephanieaw.bsky.social · 11/08/2026

Most PDB structures report one set of coordinates. But the experimental data behind them, in both X-ray crystallography and cryo-EM, is produced by an ensemble of structures. How to extract this ensemble data at scale has been a quest in structural biology for 40+ years.

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paulschanda.bsky.social @paulschanda.bsky.social · 08/08/2026

Planning my bike ride from Austria to the ICMRBS conference. What an amazing idea to have it in one of the nicest places in the alps, icmrbs2026.bsky.social! AND to make the train ride free for participants.

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Reposted by @paulschanda.bsky.social

Institute of Science and Technology Austria (ISTA) @istaresearch.bsky.social · 02/07/2026

How do light particles behave when confined to billionths of a meter? How can these phenomena drive discoveries in imaging, communication, & quantum technologies? These are the questions driving Charles Roques‑Carmes, the newest #faculty member at ISTA. More: bit.ly/4axfYf9

Physicist and engineer Charles Roques-Carmes. © ISTA

Charles Roques-Carmes (fourth from the left) and his group members at ISTA. © ISTA

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paulschanda.bsky.social @paulschanda.bsky.social · 29/06/2026

Happy to see our paper out today: Guiding AlphaFold3 with experimental data. We are totally excited about the possibility to leverage the power of AlphaFold3 AND of experiments! www.nature.com/articles/s41... It has been a fantastic collaboration with great colleagues in the Bronstein team at ISTA.

nature.com

Experiment-guided AlphaFold3 resolves measurement-consistent protein ensembles - Nature Biotechnology

A generative model using AlphaFold3 as prior infers protein conformational ensembles consistent with measured experimental data.

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paulschanda.bsky.social @paulschanda.bsky.social · 27/06/2026

Huge congrats to Lewis! From my very first days in #NMR (and until now!), Lewis’ work has been an immense source of inspiration for me — outstanding in scientific rigor, technical elegance, with groundbreaking applications that reveal, for example, "invisible" transient states crucial for function.

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Reposted by @paulschanda.bsky.social

Institute of Science and Technology Austria (ISTA) @istaresearch.bsky.social · 22/06/2026

Professor Leonid Sazanov and postdoc Ziyu Zhao just published their latest research in @cp-molcell.bsky.social.

📷Leonid Sazanov (left) and Ziyu Zhao (right). © ISTA

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paulschanda.bsky.social @paulschanda.bsky.social · 15/06/2026

Have a look our recent story about protein dynamics, led by Lea Becker. Her insights into the impact of crystal packing on protein dynamics have implications for #structural-biology, #NMR and #crystallography.

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paulschanda.bsky.social @paulschanda.bsky.social · 14/06/2026

It has been a fantastic and fun journey with collaborators across fields and continents: particularly Lea M Becker, the driving force behind the #MAS #NMR, together with Ben Tatman at @istaresearch.bsky.social. Chris Chipot (#MDsimulations) at @cnrs.fr , Sylvain Engilberge at @esrf.fr .

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paulschanda.bsky.social @paulschanda.bsky.social · 14/06/2026

The relevance of this work goes far beyond our favourite pet protein (GB1 here). It has implications for what is becoming very popular these days: protein-dynamics studies by #crystallography, such as with #XFEL sources. Our study shows how dynamics is impacted in the crystal.

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paulschanda.bsky.social @paulschanda.bsky.social · 14/06/2026

MD simulations told us about the underlying mechanisms. And also show that what is called "breathing motion" is actually a complex rearrangement of interactions that have to be re-shuffled such that the ring can rotate. T-dependent MAS NMR told us how the crystal restricts such motions.

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paulschanda.bsky.social @paulschanda.bsky.social · 14/06/2026

We combined NMR spectroscopy in solution and in crystals, and crystallography (including at room temperature), and MD simulations. Our key finding: aromatic ring flips are massively slowed down by the crystal. More than 1000x slower than in solution!

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paulschanda.bsky.social @paulschanda.bsky.social · 14/06/2026

Aromatic rings can rotate by 180° -- so-called ring flips -- but to do so their surrounding needs to make some space. These collective dynamic modes are sometimes called "breathing motions", a poorly defined term that has been around for 45 years. But what is this? And does it exist in crystals?

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paulschanda.bsky.social @paulschanda.bsky.social · 14/06/2026

📢 New publication. We answered an old question in structural biology: (how) does the crystal lattice impact proteins? In particular, how does the crystal restrict the protein's dynamics? We used local probes of dynamics: the rotation of aromatic rings. 🧵 www.nature.com/articles/s41...

nature.com

Aromatic ring flips reveal reshaping of protein dynamics in crystals and complexes - Nature Chemistry

The extent to which crystal packing constrains protein dynamics is hard to decipher. Now a combination of NMR, crystallography and molecular dynamics simulations show that intermolecular contacts can ...

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paulschanda.bsky.social @paulschanda.bsky.social · 20/05/2026

📢New paper: Dynamic disorder is crucial for mitochondrial protein import onlinelibrary.wiley.com/doi/10.1002/... Exciting research increasingly points to the key role of dynamics in the machinery that brings proteins into #mitochondria. We review the emerging picture of dynamics in #protein import

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paulschanda.bsky.social @paulschanda.bsky.social · 22/04/2026

...the famous STAR METHODS, I guess... Good luck. I think it is useful on the long run, but a bit tedious to write.

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paulschanda.bsky.social @paulschanda.bsky.social · 16/04/2026

New publication: mr.copernicus.org/articles/7/2... Congrats to Lea Becker for this work, which she lead from the experiment design to the manuscript. Amazing to work with PhD students like Lea. We show how to accelerate 19F solid-state #NMR experiments, with application to a 0.5 MDa large protein.

mr.copernicus.org

Accelerated 19F biomolecular magic-angle spinning NMR with paramagnetic dopants

Abstract. The advantageous characteristics attributed to the 19F nucleus have made it a popular target for nuclear magnetic resonance (NMR) once again in recent years. Aside from solution NMR, an incr...

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paulschanda.bsky.social @paulschanda.bsky.social · 18/03/2026

Returning from an amazing Proteostasis meeting, with lots of new ideas & grateful for great feedback about our mitochondrial-import work. Traveling back from Frankfurt to Vienna by train, I am reminded of the CO2-emissions savings of train vs. plane travel. Also in 2026, I won't take a plane.

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paulschanda.bsky.social @paulschanda.bsky.social · 18/03/2026

I heard many great lectures of yours, and have no doubt that this is highly deserved. Congrats!

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paulschanda.bsky.social @paulschanda.bsky.social · 14/03/2026

Scientists: How long have you waited for journal editors to decide whether the journal sends your manuscript out for review? I’m at 2+ months with a “prestigious” journal — not easy when working in a competitive field. What’s the longest you’ve experienced? #AcademicPublishing #PeerReview

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paulschanda.bsky.social @paulschanda.bsky.social · 24/02/2026

New preprint, a technical paper showing how 19F #NMR of proteins in solids can be accelerated, lead by Lea Becker at @istaresearch.bsky.social. mr.copernicus.org/preprints/mr... Magnetic Resonance has an open interactive public peer reviewing system, where anyone can contribute to the discussion.

mr.copernicus.org

Accelerated 19F biomolecular magic-angle spinning NMR with paramagnetic dopants

Abstract. The advantageous characteristics attributed to the 19F nucleus have made it a popular target for NMR once again in recent years. Aside from solution NMR, an increasing number of studies have...

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paulschanda.bsky.social @paulschanda.bsky.social · 23/01/2026

Very nice preprint that shows that protein crystallographic structures can be used to reveal the entropy of ligand binding. www.biorxiv.org/content/10.6...

biorxiv.org

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paulschanda.bsky.social @paulschanda.bsky.social · 21/01/2026

A recent podcast by Stephanie Wankowicz and James @fraserlab.com picked up our work (with Alex Bronstein & coworkers) on Guiding AlphaFold3 with experimental data (cryoEM, X-ray, NMR) to generate protein ensembles. (Thanks for the kind words 🙂) 👉 creators.spotify.com/pod/profile/... (from 35:50)

creators.spotify.com

Episode 8: Open Science in a Changing Academic World by The Tortured Proteins Department

Topics:Compact for Academic Excellence in Higher EducationGovernment ShutdownHHMI's new open science policiesShrinking PhD poolsThe Nobel PrizesThe BearTLOS ReactionsPreprint: Experiment-guided AlphaF...

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paulschanda.bsky.social @paulschanda.bsky.social · 20/01/2026

Ben will talk about his recent work on relaxation-dispersion MAS NMR, including published work )https://pubs.acs.org/doi/full/10.1021/jacs.5c09057) and some new ideas on analysis of relaxation-dispersion NMR to probe microsecond dynamics.

pubs.acs.org

Bumps on the Road: The Way to Clean Relaxation Dispersion Magic-Angle Spinning NMR

Microsecond-to-millisecond motions are instrumental for many biomolecular functions, including enzymatic activity and ligand binding. Bloch-McConnell Relaxation Dispersion (BMRD) Nuclear Magnetic Reso...

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paulschanda.bsky.social @paulschanda.bsky.social · 20/01/2026

📢 Check out Ben Tatman's talk in the Magnetic Resonance Seminar series online (see details below). He will talk about methods to probe protein dynamics by magic-angle spinning #NMR. Friday, Jan 23, noon CET.

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paulschanda.bsky.social @paulschanda.bsky.social · 14/01/2026

Thanx & congrats @ivasucec.bsky.social Undina Guillerm, Jakob Schneider for a heroic effort. (No doubt: this is the paper with the biggest NMR set from our lab) And Francois Dehez for lots of MD simulations, Nils Wiedemann’s lab for yeast work and Karin Busch’s lab for single-molecule tracking. 🧵8/8

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paulschanda.bsky.social @paulschanda.bsky.social · 14/01/2026

Collectively, our data reveal a new functional mechanism, which nature came up with to deal with the contradictory requirements of preprotein binding to the receptors, but also efficient release for translocation. This dynamic mechanism is likely in place at many similar systems. 🧵7/8

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paulschanda.bsky.social @paulschanda.bsky.social · 14/01/2026

Moreover, with lots of methyl-TROSY #NMR spectra — overcoming substantial challenges related to studies of large proteins by NMR — we also resolved, for the first time, how preproteins bind Tom70. 🧵6/8

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paulschanda.bsky.social @paulschanda.bsky.social · 14/01/2026

These data suggest another role: keeping Tom20 and Tom70 in vicinity of the TOM gate. We used single-molecule tracking experiments in live cells to investigate this role. Indeed: Tom22’s transient helix is a key element that keeps the receptor proteins close to the import gate. 🧵5/8

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paulschanda.bsky.social @paulschanda.bsky.social · 14/01/2026

We deciphered Tom22 ’s actual role: its transient helix competes with precursor proteins for binding to the two “real” receptor (Tom20, Tom70). In doing so, Tom22 acts as a precursor-protein displacement element, right above the TOM pore, to release precursor protein for translocation 🧵4/8

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paulschanda.bsky.social @paulschanda.bsky.social · 14/01/2026

We found that the cytosolic domain of Tom22— traditionally called a “receptor” — is mostly unfolded, with a short transient helix. MD simulations show the range of states. But how does a receptor interact with the incoming precursor proteins? And is this preprotein-bining even its actual role? 🧵3/8

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paulschanda.bsky.social @paulschanda.bsky.social · 14/01/2026

Almost all mitochondrial proteins are imported through the TOM complex: a beta-barrel pore and “receptor proteins” on the cytosolic side. The “central receptor” protein, Tom22, has remained enigmatic. In cryoEM structures, Tom22 was mostly unresolved, or in contradictory conformations.  🧵2/8

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paulschanda.bsky.social @paulschanda.bsky.social · 14/01/2026

📢 New preprint alert! How do proteins enter mitochondria? We uncovered a surprising mechanism at the mitochondrial entry gate—using #NMR, in vivo single-particle tracking, yeast experiments, and MD simulations to crack the code. www.biorxiv.org/content/10.6... #StructuralBiology #Mitochondria 🧵 1/8

biorxiv.org

A dynamic displacement mechanism drives protein import into mitochondria

Most mitochondrial proteins are produced in the cytosol and imported through the translocase of the outer mitochondrial membrane (TOM) to reach their final destination. Although this protein entry gat...

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paulschanda.bsky.social @paulschanda.bsky.social · 12/01/2026

📢 Join us at the first Austrian #NMR meeting. Organised by a fantastic group of young international NMR researchers, this meeting is great opportunity for postdocs and students to contribute their science with a talk or poster. And to see great invited speakers. austrian-nmr-meeting.pages.ist.ac.at

austrian-nmr-meeting.pages.ist.ac.at

Next Austrian NMR Meeting 2026

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paulschanda.bsky.social @paulschanda.bsky.social · 22/12/2025

There are many opportunities in many groups. Check the research on the ISTA web site ista.ac.at In our group we specifically look for candidates with a strong interest in structural biology and NMR. Experience in protein production, and/or NMR, possibly also in ML and EM, are particularly welcome.

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paulschanda.bsky.social @paulschanda.bsky.social · 17/11/2025

#NMR spectroscopists in and around Austria: join us for this meeting. A few great keynote speakers, and lots of space for contributed talks from students and postdocs. Taking place at ISTA @istaresearch.bsky.social in February 2026

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