Sad news to #CompChem Pavel Jungwirth passed away… www.uochb.cz/en/news/811/...

Pavel Jungwirth, a leading figure in the world of chemistry, has died

The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences is deeply saddened to announce that on Thursday 23 July 2026, our outstanding colleague, teacher, mentor and…

uochb.cz

If you want to play some biochemical boardgame on summer holidays - you can try my AA-Dobble - karelberka.github.io/amino-acid-d... #proteins #chemsky

Part 2 may be of most use to experienced users of AlphaFold and related programs. It covers the origin of the AF scores in benchmarking protein structure prediction (GDT-TS, LDDT, TM score) and the AF versions of these scores (pLDDT, PAE, ipTM, ipSAE, LIS). www.youtube.com/watch?v=WW_X...

I gave a workshop on AlphaFold & related programs @ the University of Utah. Part 1 covers protein structure prediction before/after AlphaFold & deep learning neural networks. Part 2 covers the math behind the scores. Part 3 covers PyMOL & the webservers. youtube.com/@rolanddunbr...

Antigravity (or other agentic AI who wrote code) is cool tool for making science edu apps for computational chemistry. For instance, I vibecoded this interactive atomic orbital simulator this afternoon based on discussion with student… karelberka.github.io/orbital-simu... (it is in Czech now)

nice #alphafoldology gym for alternative structure prediction

Stephanie Wankowicz@stephanieaw.bsky.social · 2mo ago

sampleworks allows you to hold the experimental loss fixed and benchmark structure predictors head-to-head, or freeze the model and sweep guidance methods + hyperparameters. github.com/diff-use/sam...

sampleworks allows you to hold the experimental loss fixed and benchmark structure predictors head-to-head, or freeze the model and sweep guidance methods + hyperparameters. github.com/diff-use/sam...

GitHub - diff-use/sampleworks: Framework for modified sampling from biomolecular generative models

Framework for modified sampling from biomolecular generative models - diff-use/sampleworks

github.com

Did you ever see the "Not The Nine O'Clock News" sketch? m.youtube.com/watch?v=asUy...

Not the Nine O'Clock News - Monty Pythons worshipers

YouTube video by ZuzuzuLooker

m.youtube.com

another #alphafoldology tool - DeltaDiff - for prediction of mutant protein structures.

arXiv physics.chem-ph Chemical Physics@physicschemph-bot.bsky.social · 2mo ago

Yajie Cai, Yanbin Wang, Ming Chen: DeltaDiff: Training-Free, Physics-Guided Machine Learning for Predicting Mutant Protein Structures https://arxiv.org/abs/2606.04452 https://arxiv.org/pdf/2606.04452 https://arxiv.org/html/2606.04452

pipeline for #alphafoldology pipeline for identification of PPIs

arXiv q-bio.BM Biomolecules@qbiobm-bot.bsky.social · 2mo ago

Sarah Narrowe, Arne Elofsson Claudio Mirabello: AF_Cache: Efficient Pipeline for Running AlphaFold for High-Throughput Protein-Protein Interaction Prediction https://arxiv.org/abs/2606.04566 https://arxiv.org/pdf/2606.04566 https://arxiv.org/html/2606.04566

🧬 Claude isn't the only AI that can query PDBe. PDBe MCP Servers work with other AI clients too, such as Google Antigravity. You only need one protocol for any MCP-compatible AI. 🎥 Watch the install walkthrough 👇 📦 github.com/PDBeurope/PDBe-MCP-Servers #PDBe #MCP #GoogleAntigravity #AI

Power of Boron lecture by Michael Londesborough from IIC AV CR at @fchupol.bsky.social www.youtube.com/live/j3PvXHe... #chemsky

Michael Londesborough - Boron Power

YouTube video by Katedra fyzikální chemie UPOL

youtube.com

Sebastian Hiller on integrative NMR #pps2026

Andrea Soranno on IDP biophysics #ppps2026

Ahrum Son on protein structural changes in alzheimer’s disease #pps2026

And great opening of Prague Protein Spring by David Baker @nd-bakerlab.bsky.social #pps2026

Next speaker is Michele Vendruscolo on dugging undruggable #pps2026

Eugene Shakhnovich on chaperonines helping bacteia to resist antibiotics #pps2026

Patricia Clark on silent mutations and protein folding #pps2026

On neurodegeneration by Nikolay Dokholyan #pps2026

Alena Khmelinskaia @akhmelinlab.bsky.social promoting @rosettacommons.bsky.social -Con after her amazing talk on design of protein nanostructures #pps2026

Sameer Velankar @pdbeurope.bsky.social @ebi.embl.org ready to his talk on AI in biology #pps2026

Gennady Verkhivker on AI and allostery in protein kinases #pps2026

Basile Wicky @ethz.ch on protein design #pps2026

Tomas Pluskal @pluskal-lab.org on plants, their products and AI #pps2026

Agnes Toth-Petroczy @tothpetroczylab.bsky.social on IDPs #pps2026

New Syntax for PDB DOIs for Entries Released After July 21, 2027 PDB entries deposited after July 20, 2027 will only be assigned extended PDB IDs and will follow a new DOI syntax.

New Syntax for PDB DOIs for Entries Released After July 21, 2027

PDB entries deposited after July 20, 2027 will only be assigned extended PDB IDs and will follow a new DOI syntax.

rcsb.org

Babička je do neděle v aukci. Držte palce, nebo si ji radši vydražte ;) www.obrazyvaukci.cz/polozka/maco...

Originální řešení pro velkoobjemový #3Dtisk vzniká i v Česku. Byl jsem se podívat za Jiřím Samkem v Hradci Králové na velkého robota, který umí připravovat obrovské výtisky z termoplastů. A tím „obrovské“ myslím v řádu mnoha metrů a mnoha tun. Mikroreportáž: www.linkedin.com/posts/tomvit...

#3dtisk #sinumerik #sinucraft #lfam #aditivnivyroba #prumysl #vyroba | Tomas Vit

Originální řešení pro velkoobjemový #3Dtisk vzniká i v Česku Ve čtvrtek jsem se byl podívat za Jiřím Samkem v Hradci Králové na velkého robota, který umí připravovat obrovské výtisky z termoplastů. ...

linkedin.com

Been training for this moment my whole life.