Hekstra Lab
@hekstralab.bsky.social
Can AlphaFold refine structures for X-ray & Cryo-EM/ET data? Now it can! Great collab with @moalquraishi.bsky.social and @randyjread.bsky.social led by @alisiafadini.bsky.social and @minhuanli.bsky.social. 🧵below. Code to follow...
Structural biology is in an era of dynamics & assemblies but turning raw experimental data into atomic models at scale remains challenging. @minhuanli.bsky.social and I present ROCKET🚀: an AlphaFold augmentation that integrates crystallographic and cryoEM/ET data with room for more! 1/14.
February 24, 2025 at 1:18 PM
Can AlphaFold refine structures for X-ray & Cryo-EM/ET data? Now it can! Great collab with @moalquraishi.bsky.social and @randyjread.bsky.social led by @alisiafadini.bsky.social and @minhuanli.bsky.social. 🧵below. Code to follow...
Crystal structures are *not* God-given truth. They approximate, w/ flaws & errors, X-ray diffraction data. AlphaFold etc. have been trained on structures, not data. SFCalculator now differentiably connects structures to diffraction data. What does this enable? 🧵 1/4 www.biorxiv.org/content/10.1...
February 23, 2025 at 1:52 AM
Crystal structures are *not* God-given truth. They approximate, w/ flaws & errors, X-ray diffraction data. AlphaFold etc. have been trained on structures, not data. SFCalculator now differentiably connects structures to diffraction data. What does this enable? 🧵 1/4 www.biorxiv.org/content/10.1...
Now in Cell: K+ ion channels enable electric currents consisting of potassium ions to generate action potentials in heart, brain, and muscle. For the first time, we can now see these currents atom-by-atom. www.cell.com/cell/abstrac... 1/8
https://www.cell.com/cell/abstract/S0092-8674(24)01419-3🧵
February 23, 2025 at 1:46 AM
Now in Cell: K+ ion channels enable electric currents consisting of potassium ions to generate action potentials in heart, brain, and muscle. For the first time, we can now see these currents atom-by-atom. www.cell.com/cell/abstrac... 1/8
X-ray diffraction can access protein dynamics. Why so few datasets? One reason? Lack of powerful pulsed X-ray sources. XFELs are limited. Synchrotrons throw away >99% of photons. Working with Aaron Bewster (DIALS/LBNL) and BioCARS (biocars.uchicago.edu/) to change this! 🧵1/2
laue-dials — laue-dials
rs-station.github.io
February 23, 2025 at 1:36 AM
X-ray diffraction can access protein dynamics. Why so few datasets? One reason? Lack of powerful pulsed X-ray sources. XFELs are limited. Synchrotrons throw away >99% of photons. Working with Aaron Bewster (DIALS/LBNL) and BioCARS (biocars.uchicago.edu/) to change this! 🧵1/2
Hello World! Catching up after not posting for a long time on Twitter/X/BlueSky (what happened to Mastodon?).
February 23, 2025 at 1:33 AM
Hello World! Catching up after not posting for a long time on Twitter/X/BlueSky (what happened to Mastodon?).