carter

Now published in JCTC pubs.acs.org/doi/10.1021/... Works also for ENM!

Exciting news! We have a new website: omsf.io/alchemistry

Your one-stop shop for everything related to our conference community. 🎉

BTW, registration is now open, so head over to secure your spot! We'll be sharing updates and details about the event.

Bookmark it as there's plenty more to come!

📜 New preprint! We developed PoGö, an algorithm to optimize the essential dynamics of GöMartini proteins based on all-atom simulations: www.biorxiv.org/content/10.1...

Just because this came up a few times recently

If you need to compare two or more ensembles (like RMSD for structures) we developed algorithms and code (ENCORE) to do just that

Similarity Measures for Protein Ensembles
journals.plos.org/plosone/arti...

ENCORE
journals.plos.org/ploscompbiol...

Try out the code for yourself:
💻 github.com/wilsonjcarte...

We (@sobuelow.bsky.social) developed AF-CALVADOS to integrate AlphaFold and CALVADOS to simulate flexible multidomain proteins at scale

See preprint for:
— Ensembles of >12000 full-length human proteins
— Analysis of IDRs in >1500 TFs

📜 doi.org/10.1101/2025...
💾 github.com/KULL-Centre/...

Microtubule dynamics are defined by conformations and stability of clustered protofilaments | PNAS Microtubules are dynamic cytoskeletal polymers that add and lose tubulin dimers at their ends. Microtubule growth, shortening, and transitions betw...

Have a great D2@ #EBSA2025 in Rome🫠! Here are the posters of today's session: 📌Maksim @maksimkalutskii.bsky.social is presenting (P-2.195) his project addressing #Microtubule Dynamics Are Defined by Conformations and Stability of Clustered #Protofilaments 📜🔗 www.pnas.org/doi/10.1073/...

📌Carter @carterjwilson.bsky.social‬ is presenting (P-2.44) "A Tale of Two #Aquaporins: Structural Mechanisms of Gating and Inhibition in Aqp3 and Aqp7" and + 📌Florian will explain (P-2.196) "How Loop #Dynamics Control Activity and Selectivity of a Short Chain #Reductase" Happy discussions! 👥