Daniel Wendscheck

@dwendscheck.bsky.social

PhD student (close to finish!) at the University Würzburg. Likes to play with structure prediction tools, Crosslinking-MS, Native MS and bicycles. Proud of DOI:10.1073/pnas.2009502117 and DOI:10.1101/2024.04.30.591961 #TeamMassSpec #phdlife #peroxisomes

What's more irritating in talks? A) Speakers saying "I'm going to switch gears" when they mean "I'm going to change direction and talk about something else"? B) A metaphorical collaboration slide that shows 3 or more gear cogs in a configuration that could not possible work.

Our universal peptide spectrum Annotator (and codebase rustyms) is now published in Analytical Chemistry, check it out! pubs.acs.org/doi/10.1021/... github.com/snijderlab/a... github.com/jspaezp/rust...

A Universal Spectrum Annotator for Complex Peptidoforms in Mass Spectrometry-Based Proteomics

Accurate and comprehensive peptide spectrum annotation is a crucial step to interpreting mass spectrometry-based proteomics data. While peak assignment in peptide fragmentation spectra is central to a broad range of proteomics applications, current tools tend to be specialized to a specific task. Here, we present a more comprehensive interactive graphical tool (Annotator), along with the underlying codebase written in Rust (rustyms). Annotator enables unified spectrum annotation for bottom-up, middle-down, top-down, cross-linked, and glycopeptide fragmentation mass spectra from all fragmentation methods, including all ion types: a/b/c, x/y/z, d/v/w, and immonium ions. The Annotator integrates all known post-translational modifications from common databases and additionally allows for the definition of custom fragmentation models and modifications. Modifications allow for diagnostic fragment ions, site-specific neutral losses, and multiple breakage sites for cross-linkers. The underlying library used for the theoretical fragmentation and matching is based on the unified peptidoform notation ProForma 2.0 and is made available as a Rust library with Python bindings. This enables spectrum annotation in an interactive, graphical interface of diverse and complex peptidoforms across the broad range of mass spectrometry-based proteomics applications.

pubs.acs.org

Structural bioinformatics is incredibly powerful on its own or when paired with theory or experiment. One of the PDB's superpowers isn’t from one structure, but comparing many to uncover folds, binding sites, and subtle conformational shifts. chemrxiv.org/engage/chemr...

10 Rules for a Structural Bioinformatic Analysis

The Protein Data Bank (PDB) is one of the richest open‑source repositories in biology, housing over 277,000 macromolecular structural models alongside much of the experimental data that underpins thes...

chemrxiv.org

Spitzenforschung wird immer mehr mit einem Leistungssport gleichgesetzt, keinem Mannschaftssport, keine Teamveranstaltung Der Spitzenforscher wird glorifiziert, die notwendige Vorarbeit die von Dutzenden anderen Forschenden geleistet wird, wird ausgeblendet und herabgewürdigt

Amrei Bahr@amreibahr.bsky.social · last yr.

Sie ist überall: die Rede vom #Spitzenforscher. Nur: Was soll das überhaupt sein? Über einen Begriff, der das Gros der Wissenschaftler_innen als zweitklassig degradiert & einem Geniekult zuarbeitet, der der Arbeitsrealität in der Wissenschaft weder angemessen noch zuträglich ist. ⬇️ #ArbeitInDerWiss

📺 #IchBinHanna​-Community: Ihr werdet gesucht für 1 TV-Format! Die Anfrage: „Für eine Dokumentation für den Öffentlich-rechtlichen Rundfunk suchen wir Wissenschaftler*innen ohne Lebenszeitprofessur, die bereit wären, mit uns über ihre Erfahrungen mit dem dt. Wissenschaftssystem zu sprechen: (1/3)

Excited to see this published! It is a good step in the process for people to assess their FDR control in proteomics experiments. Great work from @bo-wen.bsky.social and @urikeich.bsky.social in particular who drove this.

Nature Methods@natmethods.nature.com · last yr.

Assessing error control is fundamental in mass spectrometry-based proteomics. @bo-wen.bsky.social @maccoss.bsky.social @urikeich.bsky.social et al introduce a theoretical foundation for entrapment along with a method for more accurate evaluation of FDR control. www.nature.com/articles/s41...

Almost intentionally, looks like all of the new Thermo instrument pages are up (Astral Zoom, Excedion Pro, Optispray). Overall vibes? Excedion is the bigger upgrade, almost 2x faster and can now do ETD. Astral Zoom improvements are more incremental. No change to instrument sensitivity specs.

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