Inverse problems with experiment-guided AlphaFold
Proteins exist as a dynamic ensemble of multiple conformations, and these motions are often crucial for their functions. However, current structure prediction methods predominantly yield a single conf...
📢 New preprint, lead by Alex Bronstein, @sankethvedula.bsky.social and colleagues:
Guiding AlphaFold with experimental data.
This approach generates conformational ensembles guided by NMR, X-ray (or whatever) data. I am thrilled to tackle lots of exciting problems with it!
arxiv.org/abs/2502.09372
17.02.2025 16:35 — 👍 50 🔁 16 💬 1 📌 0
Our recent work presented as a talk at the MLSB workshop in NeurIPS.
15.12.2024 22:05 — 👍 2 🔁 0 💬 0 📌 0
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Computational biochemist (ligand binding kinetics, crowding)
Junior group leader at the Technical University Berlin
Associate editor at the Journal of Chemical Information and Modeling
Brazilian in Germany
Computational Structural Biologist
Assistant Professor @VanderbiltMPB
wankowiczlab.com
(she/her)
Past: UCSF, Dana-Farber, Broad Institute, UMass Amherst
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.
PhD Candidate in Computer Science at IST Austria Working on Computer Vision and Deep Learning
Full Professor of Structural Biology
Osnabrueck University
Computational Biophysicist, Amateur Photographer, History+Language Nerd.
All views my own.
Website: https://martinvoegele.github.io/
PhD candidate in Deep Learning at the University of Trieste, Italy. Visiting at @ucl.ac.uk. Representations, robustness, empirical methods, kernels, physics & neuroscience. Quantitativist, overenthusiastic tinkerer.
https://ballarin.cc/
PhD student in ML @UniTrieste
Research Scientist @IBM - AI for Scientific Discovery! Tech & sports enthusiast
PostDoc @ISTAustria 🧑🏻💻 | Organizer of @unireps.bsky.social | Member @ellis.eu | Prev. PhD @SapienzaRoma @ELLISforEurope | @amazon AWS AI | @autodesk AI Lab | (he/him)
Cofounder & CTO @ Abridge, Raj Reddy Associate Prof of ML @ CMU, occasional writer, relapsing 🎷, creator of d2l.ai & approximatelycorrect.com
Interests on bsky: ML research, applied math, and general mathematical and engineering miscellany. Also: Uncertainty, symmetry in ML, reliable deployment; applications in LLMs, computational chemistry/physics, and healthcare.
https://shubhendu-trivedi.org
Photographer. Bibliophile. Traveler.
The BioImage Analysis Unit designs innovative computational methods to address challenging biological questions through rigorous quantitative approaches @Icy_bioimaging.bsky.social
https://research.pasteur.fr/en/team/bioimage-analysis/
@InstitutPasteur
Postdoctoral Fellow at Technion — Geometric Deep Learning in some of its various forms — PhD at Imperial College London — Previously Twitter, Fabula AI and Politecnico di Milano「 心 」🌟
PostDoc at ETH Zurich | Prev. PhD at Sapienza Roma| Working on Representation Learning.
irene.cannistraci.dev
Decision-making under uncertainty, machine learning theory, artificial intelligence · anti-ideological · Assistant Research Professor, Cornell
https://avt.im/ · https://scholar.google.com/citations?user=EGKYdiwAAAAJ&sortby=pubdate
Chair, Computational BIology and Medicine Program, Princess Margaret Cancer Centre, University Health Network.
Associate Professor, Medical Biophysics, University of Toronto.
Disclosures: https://github.com/michaelmhoffman/disclosure/
