@paulschanda.bsky.social
Passionate for integrated structural biology, including NMR and many more. Particularly interested in protein dynamics, and therefore chaperones, enzymes and mitochondrial protein import.
Fortunate to lead a great research team at IST Austria.
Fortunate to lead a great research team at IST Austria.
I had the pleasure to work with amazing students at @istaresearch.bsky.social on a nice "side project": Understanding the travel-related carbon emissions of our institute, and how much planes pollute (compared to trains) -- and then applying all this to analyze the footprint of #NMR conferences.
->🧵
->🧵
“In-person meetings have a quality that online conferences simply cannot provide,” says ISTA professor @paulschanda.bsky.social.
But can we make conference travel more sustainable?
Read more: ista.ac.at/en/news/carb...
But can we make conference travel more sustainable?
Read more: ista.ac.at/en/news/carb...
Carbon Footprint of Conference Travel
International meetings offer researchers worldwide the chance to explore the cutting edge of science, generate new ideas, and strike up collaborations. Having a wide geographical distribution of atten...
ista.ac.at
November 10, 2025 at 11:34 AM
I had the pleasure to work with amazing students at @istaresearch.bsky.social on a nice "side project": Understanding the travel-related carbon emissions of our institute, and how much planes pollute (compared to trains) -- and then applying all this to analyze the footprint of #NMR conferences.
->🧵
->🧵
Looking forward to hosting Kresten Lindorff-Larsen's talk tomorrow.
I am looking forward to seeing ISTA's main lecture hall of full, and hearing the latest developments of tools to predict, design and study intrinsically disordered proteins.
@istaresearch.bsky.social
I am looking forward to seeing ISTA's main lecture hall of full, and hearing the latest developments of tools to predict, design and study intrinsically disordered proteins.
@istaresearch.bsky.social
Looking forward to visit colleagues in Vienna and Graz 🇦🇹
If you’re in Vienna I’m speaking on:
Prediction and Design of Intrinsically Disordered Proteins and Condensates (27/10 ISTA)
&
Understanding the Effects of Missense Variants Using Analyses of Protein Stability and Conservation (30/10 VBC)
If you’re in Vienna I’m speaking on:
Prediction and Design of Intrinsically Disordered Proteins and Condensates (27/10 ISTA)
&
Understanding the Effects of Missense Variants Using Analyses of Protein Stability and Conservation (30/10 VBC)
October 26, 2025 at 6:38 PM
Looking forward to hosting Kresten Lindorff-Larsen's talk tomorrow.
I am looking forward to seeing ISTA's main lecture hall of full, and hearing the latest developments of tools to predict, design and study intrinsically disordered proteins.
@istaresearch.bsky.social
I am looking forward to seeing ISTA's main lecture hall of full, and hearing the latest developments of tools to predict, design and study intrinsically disordered proteins.
@istaresearch.bsky.social
Reposted
here is the correct link: ista.ac.at/en/job/tenur...
Tenure-based Research Staff Scientist Position in Computational Structural Biology
ISTA (www.ista.ac.at) is seeking a highly skilled Staff Scientist in Computational Structural Biology to support and advance the Institute’s structural biology research through the development and imp...
ista.ac.at
October 15, 2025 at 12:44 PM
here is the correct link: ista.ac.at/en/job/tenur...
📢 New preprint:
Experiment-guided AlphaFold3 resolves accurate protein ensembles.
doi.org/10.1101/2025...
AlphaFold3 is incredible, but has crucial limitations: it typically collapses to a single conformation, ignoring the inherent dynamics of proteins. And it can be wrong. Here's a solution. 🧵👇
Experiment-guided AlphaFold3 resolves accurate protein ensembles.
doi.org/10.1101/2025...
AlphaFold3 is incredible, but has crucial limitations: it typically collapses to a single conformation, ignoring the inherent dynamics of proteins. And it can be wrong. Here's a solution. 🧵👇
October 18, 2025 at 6:59 PM
📢 New preprint:
Experiment-guided AlphaFold3 resolves accurate protein ensembles.
doi.org/10.1101/2025...
AlphaFold3 is incredible, but has crucial limitations: it typically collapses to a single conformation, ignoring the inherent dynamics of proteins. And it can be wrong. Here's a solution. 🧵👇
Experiment-guided AlphaFold3 resolves accurate protein ensembles.
doi.org/10.1101/2025...
AlphaFold3 is incredible, but has crucial limitations: it typically collapses to a single conformation, ignoring the inherent dynamics of proteins. And it can be wrong. Here's a solution. 🧵👇
Reposted
ISTA @istaresearch.bsky.social is hiring a tenure-track staff scientist in Computational Structural Biology, to develop tools for cryo-EM, cryo-ET, structural prediction methods and protein interaction analysis!
Please spread the word!
ista.ac.at/en/job/tenur...
Please spread the word!
ista.ac.at/en/job/tenur...
Tenure-based Research Staff Scientist Position in Computational Structural Biology
ISTA (www.ista.ac.at) is seeking a highly skilled Staff Scientist in Computational Structural Biology to support and advance the Institute’s structural biology research through the development and imp...
ista.ac.at
October 15, 2025 at 2:08 PM
ISTA @istaresearch.bsky.social is hiring a tenure-track staff scientist in Computational Structural Biology, to develop tools for cryo-EM, cryo-ET, structural prediction methods and protein interaction analysis!
Please spread the word!
ista.ac.at/en/job/tenur...
Please spread the word!
ista.ac.at/en/job/tenur...
Today, teaching again our sustainability course at @istaresearch.bsky.social, we discussed about the "addiction" of humanity to fossil fuels. The promise of carbon capture and storage ("we'll solve it later") is so convenient, and who cares today that it probably won't ever work ...?
This is exactly what scientists have been saying for years:
oilprice.com/Energy/Energ...
oilprice.com/Energy/Energ...
The Collapse of Confidence in Carbon Capture | OilPrice.com
Carbon Capture and Storage, once seen as a lifeline for the oil and gas industry, is facing mounting doubts as delays, high costs, and poor performance cast serious doubts on its future viability.
oilprice.com
October 8, 2025 at 6:42 PM
Today, teaching again our sustainability course at @istaresearch.bsky.social, we discussed about the "addiction" of humanity to fossil fuels. The promise of carbon capture and storage ("we'll solve it later") is so convenient, and who cares today that it probably won't ever work ...?
🌟 Huge congrats to Darja Rohden for winning the L’Oréal For Women in Science Award 2025! 🎓
Darja works in our group @istaresearch.bsky.social and at @univie.ac.at, funded by @fwf-at.bsky.social on chemical synthesis of amino acids and protein #nmr.
👉 Get more details in the thread.
1/n
Darja works in our group @istaresearch.bsky.social and at @univie.ac.at, funded by @fwf-at.bsky.social on chemical synthesis of amino acids and protein #nmr.
👉 Get more details in the thread.
1/n
4 Forscherinnen erhalten den L'Oréal-@unesco.org Förderpreis "For Women in #Science" 2025, 2 davon von der #univie: Nida Ali der Fakultät für Psychologie und Darja Rohden vom Institut für Biologische Chemie! 🥳 Herzliche Gratulation an die Preisträgerinnen! Mehr dazu 👉 www.ots.at/presseaussen...
October 8, 2025 at 6:09 PM
🌟 Huge congrats to Darja Rohden for winning the L’Oréal For Women in Science Award 2025! 🎓
Darja works in our group @istaresearch.bsky.social and at @univie.ac.at, funded by @fwf-at.bsky.social on chemical synthesis of amino acids and protein #nmr.
👉 Get more details in the thread.
1/n
Darja works in our group @istaresearch.bsky.social and at @univie.ac.at, funded by @fwf-at.bsky.social on chemical synthesis of amino acids and protein #nmr.
👉 Get more details in the thread.
1/n
Reposted
Join us for the Austrian Cryo-EM Symposium Nov 11–12 at @istaresearch.bsky.social!
Top speakers, cutting-edge cryo-EM, and a chance to explore Vienna & the ISTA campus.
Register now 👉 cryoem-symposium.pages.ist.ac.at #cryoEM #teamtomo
Top speakers, cutting-edge cryo-EM, and a chance to explore Vienna & the ISTA campus.
Register now 👉 cryoem-symposium.pages.ist.ac.at #cryoEM #teamtomo
September 15, 2025 at 9:37 AM
Join us for the Austrian Cryo-EM Symposium Nov 11–12 at @istaresearch.bsky.social!
Top speakers, cutting-edge cryo-EM, and a chance to explore Vienna & the ISTA campus.
Register now 👉 cryoem-symposium.pages.ist.ac.at #cryoEM #teamtomo
Top speakers, cutting-edge cryo-EM, and a chance to explore Vienna & the ISTA campus.
Register now 👉 cryoem-symposium.pages.ist.ac.at #cryoEM #teamtomo
ISTA's Science Experience Center opens with a nice festival.
If you are in the Vienna area, come and enjoy.
If you are in the Vienna area, come and enjoy.
Keynote “In defense of wonder - science communication in an age of misinformation” by @michaeljohngorman.bsky.social of the @mit.edu museum about current challenges in science communication.
October 3, 2025 at 5:52 PM
ISTA's Science Experience Center opens with a nice festival.
If you are in the Vienna area, come and enjoy.
If you are in the Vienna area, come and enjoy.
📢 New paper: a combination of a new isotope labelling with solution-NMR, allowing to assign methyl groups even in large proteins -- we've tested it with our favourite ~130 kDa enzyme and a 70 kDa receptor.
->see thread
1/n
@istaresearch.bsky.social @univie.ac.at
www.sciencedirect.com/science/arti...
->see thread
1/n
@istaresearch.bsky.social @univie.ac.at
www.sciencedirect.com/science/arti...
A Novel HMBC-CC-HMQC NMR Strategy for Methyl Assignment Using Triple-13C-Labeled α-Ketoisovalerate Integrated with UCBShift 2.0
In this study, we describe an integrated approach for methyl group assignment comprising precursor-based selective methyl group labeling, a novel puls…
www.sciencedirect.com
October 3, 2025 at 4:29 AM
📢 New paper: a combination of a new isotope labelling with solution-NMR, allowing to assign methyl groups even in large proteins -- we've tested it with our favourite ~130 kDa enzyme and a 70 kDa receptor.
->see thread
1/n
@istaresearch.bsky.social @univie.ac.at
www.sciencedirect.com/science/arti...
->see thread
1/n
@istaresearch.bsky.social @univie.ac.at
www.sciencedirect.com/science/arti...
Reposted
The VISTA Science Experience Center Opening Festival offers a free, diverse program for science, art & music lovers. Several activities, incl. exhibition tours, keynotes, and panel discussions, will also be accessible with sign language interpretation.
Join us from Oct 3-5!
https://bit.ly/4mnJ3Ne
Join us from Oct 3-5!
https://bit.ly/4mnJ3Ne
September 22, 2025 at 3:11 PM
The VISTA Science Experience Center Opening Festival offers a free, diverse program for science, art & music lovers. Several activities, incl. exhibition tours, keynotes, and panel discussions, will also be accessible with sign language interpretation.
Join us from Oct 3-5!
https://bit.ly/4mnJ3Ne
Join us from Oct 3-5!
https://bit.ly/4mnJ3Ne
Check out these thoughts about reviewing preprints. I agree, a change in the culture and practices would be very welcome.
Why hasn't Preprint Peer Review caught on more?
I discovered a small, but simple reason - authors are missing out on the JOY of getting feedback because they aren't notified when feedback occurs.
more in thread below!
I discovered a small, but simple reason - authors are missing out on the JOY of getting feedback because they aren't notified when feedback occurs.
more in thread below!
September 8, 2025 at 5:16 PM
Check out these thoughts about reviewing preprints. I agree, a change in the culture and practices would be very welcome.
Reposted
@Bruker #NMR User Meetings are coming to the US. Join us either in Washington DC on Oct. 28. or in La Jolla CA on Nov. 4. 2025. You can see the agenda and register here. www.bruker.com/en/news-and-...
September 5, 2025 at 12:23 PM
@Bruker #NMR User Meetings are coming to the US. Join us either in Washington DC on Oct. 28. or in La Jolla CA on Nov. 4. 2025. You can see the agenda and register here. www.bruker.com/en/news-and-...
Check out Fede's and Darja's MAS #NMR / isotope-labeling paper.
Team effort with @darjarohden.bsky.social 💪🏼👩🔬 targeting my second favourite amino acid by solid-state NMR. Many motion timescales accessible. And the next amino acid is already in the crosshairs (my third favourite 😏).
share.google/Q1ZzwJwDjjwA...
(yeah nothing beats tryptophan)
share.google/Q1ZzwJwDjjwA...
(yeah nothing beats tryptophan)
Arginine dynamics probed by magic-angle spinning NMR with a specific isotope-labeling scheme
The specific introduction of 1H-13C or 1H-15N moieties into otherwise deuterated proteins holds great potential for high-resolution solution and magic…
share.google
September 2, 2025 at 4:30 PM
Check out Fede's and Darja's MAS #NMR / isotope-labeling paper.
Reposted
I’m carrying out a short survey of NMR TITAN users - if you’ve made use of this tool in your research, or have suggestions for its future development, I’d be grateful for your input: forms.gle/MMXYwSozszhi... #nmrchat
NMR TITAN user survey
This survey aims to assess the impact of NMR TITAN on biomolecular research and identify priorities for future development. The form should take approximately 5 minutes to complete. Your responses may...
forms.gle
August 28, 2025 at 2:13 PM
I’m carrying out a short survey of NMR TITAN users - if you’ve made use of this tool in your research, or have suggestions for its future development, I’d be grateful for your input: forms.gle/MMXYwSozszhi... #nmrchat
New publication: Arginine dynamics probed by magic-angle spinning NMR with a specific isotope-labeling scheme
Our selective arginine labeling yields well-resolved 1H-detected spectra in solids (and solution). We apply it to study dynamics in crystalline ubiquitin and a >130 kDa large enzyme
1/2
Our selective arginine labeling yields well-resolved 1H-detected spectra in solids (and solution). We apply it to study dynamics in crystalline ubiquitin and a >130 kDa large enzyme
1/2
August 25, 2025 at 5:43 AM
New publication: Arginine dynamics probed by magic-angle spinning NMR with a specific isotope-labeling scheme
Our selective arginine labeling yields well-resolved 1H-detected spectra in solids (and solution). We apply it to study dynamics in crystalline ubiquitin and a >130 kDa large enzyme
1/2
Our selective arginine labeling yields well-resolved 1H-detected spectra in solids (and solution). We apply it to study dynamics in crystalline ubiquitin and a >130 kDa large enzyme
1/2
📢 New preprint: Aromatic Ring Flips Reveal Reshaping of Protein Dynamics in Crystals and Complexes.
We addressed a long-standing question that people debated already in the 1970s - but it still remained open:
Do proteins in crystals move as they do in solution? We used ring flips to find out.
1/n
We addressed a long-standing question that people debated already in the 1970s - but it still remained open:
Do proteins in crystals move as they do in solution? We used ring flips to find out.
1/n
August 25, 2025 at 4:38 AM
📢 New preprint: Aromatic Ring Flips Reveal Reshaping of Protein Dynamics in Crystals and Complexes.
We addressed a long-standing question that people debated already in the 1970s - but it still remained open:
Do proteins in crystals move as they do in solution? We used ring flips to find out.
1/n
We addressed a long-standing question that people debated already in the 1970s - but it still remained open:
Do proteins in crystals move as they do in solution? We used ring flips to find out.
1/n
Reposted
The start of the upcoming Alpine Conference on Magnetic Resonance in Solids (in #Chamonix) is just a month away. Really looking forward to it - a nice variety of interesting science coming up, looking at the program and abstracts! ghttps://alpine-conference.org #ssNMR (and more) …
Alpine Conference on Magnetic Resonance in Solids
alpine-conference.org
August 13, 2025 at 7:29 PM
I'm deeply saddened by the situation in Gaza.
Over the last 15 years I have frequently worked as reviewer for Israeli research institutions and funding agencies (for free; common in academia).
In light of the situation I refuse to do that work in the future, until very strong changes happen.
Over the last 15 years I have frequently worked as reviewer for Israeli research institutions and funding agencies (for free; common in academia).
In light of the situation I refuse to do that work in the future, until very strong changes happen.
August 6, 2025 at 2:40 PM
I'm deeply saddened by the situation in Gaza.
Over the last 15 years I have frequently worked as reviewer for Israeli research institutions and funding agencies (for free; common in academia).
In light of the situation I refuse to do that work in the future, until very strong changes happen.
Over the last 15 years I have frequently worked as reviewer for Israeli research institutions and funding agencies (for free; common in academia).
In light of the situation I refuse to do that work in the future, until very strong changes happen.
Our latest publication in @jacs.acspublications.org is out: pubs.acs.org/doi/10.1021/...
We show clean ways to probe dynamics on microsecond time scales by relaxation-dispersion MAS #NMR. Microsecond motions are often essential for function e.g. in enzymes.
1/n
We show clean ways to probe dynamics on microsecond time scales by relaxation-dispersion MAS #NMR. Microsecond motions are often essential for function e.g. in enzymes.
1/n
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 Resonance (NMR) spectroscopy is a key technique for studying these dynamic processes. While BMRD experiments are routinely used to probe protein motions in solution, the experiment is more demanding in the solid state, where dipolar couplings complicate the spin dynamics. It is believed that high deuteration levels are required and sufficient to obtain accurate and quantitative data. Here we show that even under fast magic-angle spinning and high levels of deuteration artifactual “bumps” in 15N R1ρ BMRD profiles are common. The origin of these artifacts is identified as a second-order three-spin Mixed Rotational and Rotary Resonance (MIRROR) recoupling condition. These artifacts are found to be a significant confounding factor for the accurate quantification of microsecond protein dynamics using BMRD in the solid state. We show that the application of low-power continuous wave (CW) decoupling simultaneously with the 15N spin-lock leads to the suppression of these conditions and enables quantitative measurements of microsecond exchange in the solid state. Remarkably, the application of decoupling allows the measurement of accurate BMRD even in fully protonated proteins at 100 kHz MAS, thus extending the scope of μs dynamics measurements in MAS NMR.
pubs.acs.org
August 6, 2025 at 10:54 AM
Our latest publication in @jacs.acspublications.org is out: pubs.acs.org/doi/10.1021/...
We show clean ways to probe dynamics on microsecond time scales by relaxation-dispersion MAS #NMR. Microsecond motions are often essential for function e.g. in enzymes.
1/n
We show clean ways to probe dynamics on microsecond time scales by relaxation-dispersion MAS #NMR. Microsecond motions are often essential for function e.g. in enzymes.
1/n
In the open review process at @group-ampere.bsky.social 's Magnetic Resonance journal, the Discussion about an analysis of the carbon footprint of NMR conferences is still open for a few days.
mr.copernicus.org/preprints/mr...
Feel free to leave a comment there!
mr.copernicus.org/preprints/mr...
Feel free to leave a comment there!
July 20, 2025 at 10:02 AM
In the open review process at @group-ampere.bsky.social 's Magnetic Resonance journal, the Discussion about an analysis of the carbon footprint of NMR conferences is still open for a few days.
mr.copernicus.org/preprints/mr...
Feel free to leave a comment there!
mr.copernicus.org/preprints/mr...
Feel free to leave a comment there!
📢New preprint
We developed an isotope-labeling scheme which allows probing arginine side chain motion in proteins w solution/MAS #NMR. The method is readily applicable to large proteins (here: a 130 kDa enzyme). @istaresearch.bsky.social & Lichtenecker @univie.ac.at
papers.ssrn.com/sol3/papers....
We developed an isotope-labeling scheme which allows probing arginine side chain motion in proteins w solution/MAS #NMR. The method is readily applicable to large proteins (here: a 130 kDa enzyme). @istaresearch.bsky.social & Lichtenecker @univie.ac.at
papers.ssrn.com/sol3/papers....
Arginine Dynamics Probed by Magic-Angle Spinning Nmr with a Specific Isotope-Labeling Scheme
The specific introduction of 1H-13C or 1H-15N moieties into otherwise deuterated proteins holds great potential for high-resolution solution and magic-angle spi
papers.ssrn.com
July 9, 2025 at 2:42 PM
📢New preprint
We developed an isotope-labeling scheme which allows probing arginine side chain motion in proteins w solution/MAS #NMR. The method is readily applicable to large proteins (here: a 130 kDa enzyme). @istaresearch.bsky.social & Lichtenecker @univie.ac.at
papers.ssrn.com/sol3/papers....
We developed an isotope-labeling scheme which allows probing arginine side chain motion in proteins w solution/MAS #NMR. The method is readily applicable to large proteins (here: a 130 kDa enzyme). @istaresearch.bsky.social & Lichtenecker @univie.ac.at
papers.ssrn.com/sol3/papers....
I'm glad we got our preprint about conference-travel CO2 emissions out in @group-ampere.bsky.social ’s journal before #EUROMAR2025 started. Maybe it sparks interesting in-person discussions about future conference modi/places? Feel free to contribute your thoughts: mr.copernicus.org/preprints/mr...
Quantifying the carbon footprint of conference travel: the case of NMR meetings
Abstract. Conference travel contributes to the climate footprint of academic research. Here, we provide a quantitative estimate of the carbon emissions associated with conference attendance by analyzi...
mr.copernicus.org
July 7, 2025 at 3:45 AM
I'm glad we got our preprint about conference-travel CO2 emissions out in @group-ampere.bsky.social ’s journal before #EUROMAR2025 started. Maybe it sparks interesting in-person discussions about future conference modi/places? Feel free to contribute your thoughts: mr.copernicus.org/preprints/mr...
Congrats to all prize recipients. Much deserved!
July 7, 2025 at 3:36 AM
Congrats to all prize recipients. Much deserved!