Tobias
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tkschmidt.me
Tobias
@tkschmidt.me
Digital janitor @MSAID tkschmidt.me
Reposted by Tobias
Exited to share our latest work! Out now in @natcomms.nature.com

Koina aims to transform how #proteomics uses machine learning. You no longer need to be a tech wizard to use ML and now can easily run #ML models. Integrated with FragPipe, Skyline and EncyclopeDIA!

www.nature.com/articles/s41...
Koina: Democratizing machine learning for proteomics research - Nature Communications
Koina is an open-source, online platform that simplifies access to machine learning models in proteomics, enabling easier integration into analysis tools and helping researchers adopt and reuse ML mod...
www.nature.com
November 11, 2025 at 8:06 PM
Reposted by Tobias
Our new review paper about Pathway-Centric PTM Data Analysis is out this week in #Proteomics!
We cover databases, enrichment tools, software for pathway reconstruction, and full-fledged platforms that help to interpret high-throughput PTM datasets.
Check it out here: doi.org/10.1002/pmic...
Computational Approaches for Pathway‐Centric Analysis of Protein Post‐Translational Modifications
Protein function is dynamically modulated by post-translational modifications (PTMs). Many different types of PTMs can nowadays be identified and quantified at a large scale using mass spectrometry. ...
doi.org
October 20, 2025 at 7:07 AM
Reposted by Tobias
ELIXIR-NL's @magnuspalmblad.bsky.social co-organized the Computational Proteomics Dagstuhl Seminar 2025, uniting experts in ML/AI for proteomics. Breakouts sparked collaborations, manuscripts, and proposals, making this the most productive seminar yet. #Proteomics #Dagstuhl #Collaboration
September 10, 2025 at 12:02 PM
Reposted by Tobias
The University of Michigan now blocks the iProX database, which is a part of the PRIDE consortium of mass spec data repositories. All requests to unblock were denied. Any other US universities in a similar situation? There is a lot of valuable MS proteomics data there no longer accessible to us.
September 10, 2025 at 5:44 PM
Reposted by Tobias
The “target landscape of clinical kinase drugs” (2017) has just gotten its 900th citation! There is no shame, I believe, to feel proud of having been part of this effort of the Kuster lab to provide such an - apparently very useful - interactive resource to the scientific community.
September 4, 2025 at 12:30 PM
@magnuspalmblad.bsky.social I was bored in the train and moved my simulations of the #Dagstuhl seating problem to an online R session tkschmidt.me/posts/dagstu... Quite amazing what one can do nowadays in the browser via #webr #webasm
Dagstuhl seminar: A Generalization of the Coupon Collector Problem
A private blog concerning my digital and non digital life
tkschmidt.me
August 29, 2025 at 12:51 PM
Reposted by Tobias
Looking forward to a week of productive discussions on Computational Proteomics at Schloss Dagstuhl! Has been a fun meeting to plan with @magnuspalmblad.bsky.social and Mathias Wilhelm
August 24, 2025 at 1:14 PM
Reposted by Tobias
Great presentation! Just FYI: It is a little known fact that the MS1 quantification by CHIMERYS on the MSAID Platform works by deconvoluting isotope envelopes in a similar way as JMod since the inception of the platform a year ago. If you are interested in 9-plex DIA support, feel free to reach out!
June 21, 2025 at 9:19 PM
Reposted by Tobias
Another day of #ASMS2025 in Baltimore, and we're back with another poster! Make sure to visit Flo today - he'll present the latest insights from his large-scale decryptM project.
Go #TeamMassSpec!
June 4, 2025 at 9:28 AM
Reposted by Tobias
As an "omics" sciences enthusiast, I am excited to share our latest publication in #metabolomics #biomarker discovery 🧪: www.sciencedirect.com/science/arti...
We identified previously unknown metabolites associated with early-onset Parkinson's disease - in both mice and patients. 🐁 🩸
#TeamMassSpec
Pervasive glycative stress links metabolic imbalance and muscle atrophy in early-onset Parkinson's disease
Parkinson’s disease (PD) is recognized as a systemic condition, with clinical features potentially modifiable by dietary intervention. Diets high in s…
www.sciencedirect.com
June 3, 2025 at 11:56 AM
Reposted by Tobias
5/5 All of @msaid-de.bsky.social at #ASMS2025 can be found at www.msaid.de/conferences/.... Two more highlights:
- @martinfrejno.bsky.social's oral TOA pm 04:10 shows a confirmation bias in DIA that inflates data completeness
- Daniel Zolg's oral ThOA pm 03:30 showing our platform

Enjoy!
ASMS 2025 | MSAID
ASMS 2025 – Find more information about our participation in conferences and events.
www.msaid.de
May 30, 2025 at 2:43 PM
Reposted by Tobias
4/5 Our newly introduced TimsTOF ✈️ support deserves its own spotlight! Visit @tkschmidt.me on Tuesday at TP 507. We show how Chimerys 5 and Inferys 5 perform on dda-PASEF and dia-PASEF and outperform or match alternatives out-of-the-box.
May 30, 2025 at 2:43 PM
Reposted by Tobias
#TeamMassSpec, don't miss my talk about double dipping in DIA data analysis on Tuesday afternoon at #ASMS2025! It's not as savoury as the one below, but will contain a couple of spicy takes. 🙃
May 31, 2025 at 5:04 PM
Reposted by Tobias
Woke up in Baltimore for #ASMS2025 and wondering what's on today? Here's a good start:

11:30 - 5:30 pm Waters user meeting -> Intact MS of BIG molecules, upgraded QQQ, maybe a QTOF upgrade?
5:30 - 9:30 pm Evosep user meeting -> Upgraded version of their existing LC

That's lunch/dinner covered ;)
May 31, 2025 at 11:16 AM
Reposted by Tobias
We are working hard on generalizing our peptide property prediction models to more diverse peptide classes! Watch out for my colleague @lizimamisashvili.bsky.social's ASMS talk (TOE am) to input any molecular structure to our models. Next, we need to generalize our model output too.
April 23, 2025 at 8:37 AM
Reposted by Tobias
One algorithm to rule them all? CHIMERYS bridges the gap — DDA,DIA and PRM — together at last!
With #CHIMERYS, we can now directly compare DDA and DIA data — 🍎 to 🍎 finally made possible.
doi.org/10.1038/s41592-025-02663-w
#KusterLab #WilhelmLab #MSAID #Proteomics
Unifying the analysis of bottom-up proteomics data with CHIMERYS - Nature Methods
CHIMERYS is a spectrum-centric and data acquisition method-agnostic algorithm for the analysis of MS2 spectra. It is capable of deconvoluting any MS2 spectrum, regardless of whether it was acquired by...
doi.org
April 22, 2025 at 11:44 AM
Reposted by Tobias
Backyard proteomics: A case study with the black widow spider https://www.biorxiv.org/content/10.1101/2025.04.11.648442v1
April 12, 2025 at 4:49 AM
Reposted by Tobias
Hey #TeamMassSpec, exciting news to end the week! 🔬✨

We are announcing our next seminar!

Join us for the Advanced Mass Spectrometry Seminar with special guest Brendan MacLean, the #PI behind #Skyline — the leading open-source tool for targeted proteomics and metabolomics. 🧪💻
March 28, 2025 at 6:45 PM
Reposted by Tobias
The Brixen Proteomics Summer School speaker list has been finalised!. Lots of amazing science to be discussed! Big thanks to @eupaproteomics.bsky.social @msaid-de.bsky.social @thermofishersci.bsky.social @biognosys.bsky.social @ionopticks.bsky.social @evosep.bsky.social for support
March 7, 2025 at 10:21 AM
Reposted by Tobias
Want to know more about how the MSAID Platform can process your #proteomics data from #massSpec raw file to data insight powered by the #cloud? 🌩️

Have a look at our newest publication 🔥
We are thrilled to announce our first publication featuring the MSAID Platform, the all-in-one solution for #proteomics data analysis.

📙 Read the full article here: pubs.acs.org/doi/full/10....

➡️ Try the MSAID Platform for free: platform.msaid.io

#TeamMassSpec #TeamProteomics #MassSpectrometry
February 25, 2025 at 1:03 PM
Reposted by Tobias
The Brixen Summer School is back and is, as usual, building up a strong speaker list. Thank you @eupaproteomics.bsky.social @ukbspr.bsky.social @msaid-de.bsky.social @thermofishersci.bsky.social @biognosys.bsky.social @ionopticks.bsky.social @evosep.bsky.social for support!
February 3, 2025 at 12:04 PM
Reposted by Tobias
The @eubic-ms.org Dev Meeting was amazing! We explored how to automatically extract metadata. I'm super excited to continue this effort 🤗 A huge thanks to the incredible team of this hackathon 🙏
#EuBIC2025
February 7, 2025 at 10:22 AM
It is surprisingly easy to connect your Bluesky handle with your own domain :)
December 31, 2024 at 8:52 AM