Hannah Wayment-Steele
@hkws.bsky.social
Avid rower who sometimes thinks about biomolecular dynamics. Asst Prof @uwbiochem.bsky.social
https://waymentsteelelab.org/
https://waymentsteelelab.org/
Cricket and Willow hosted a W-S lab dinner!
September 15, 2025 at 1:40 PM
Cricket and Willow hosted a W-S lab dinner!
The W-S lab is seeking to hire a research scientist!
This person will lead wet-lab innovations in our team as we combine AI and experiments to understand and design dynamics!
Thanks for sharing/RTs!
jobs.wisc.edu/jobs/scienti...
This person will lead wet-lab innovations in our team as we combine AI and experiments to understand and design dynamics!
Thanks for sharing/RTs!
jobs.wisc.edu/jobs/scienti...
Scientist and Lab Operations Coordinator - Madison, Wisconsin, United States
Job Summary:
The Wayment-Steele Lab seeks a Research Scientist to lead experimental operations within our highly interdisciplinary team, integrating both computational "dry" and experimental "wet" l...
jobs.wisc.edu
May 23, 2025 at 2:44 PM
The W-S lab is seeking to hire a research scientist!
This person will lead wet-lab innovations in our team as we combine AI and experiments to understand and design dynamics!
Thanks for sharing/RTs!
jobs.wisc.edu/jobs/scienti...
This person will lead wet-lab innovations in our team as we combine AI and experiments to understand and design dynamics!
Thanks for sharing/RTs!
jobs.wisc.edu/jobs/scienti...
Reposted by Hannah Wayment-Steele
We are looking to hire (yes, even in this economy!) a jr. specialist to train in protein prep/structural biology related to our AVOID-ome work as part of openadmet.org.
A great position for someone who is looking to be a tech for a few years before grad or med school.
aprecruit.ucsf.edu/JPF05424
A great position for someone who is looking to be a tech for a few years before grad or med school.
aprecruit.ucsf.edu/JPF05424
Junior/Assistant/Associate/Full Specialist Positions Available
University of California, San Francisco is hiring. Apply now!
aprecruit.ucsf.edu
May 20, 2025 at 5:26 PM
We are looking to hire (yes, even in this economy!) a jr. specialist to train in protein prep/structural biology related to our AVOID-ome work as part of openadmet.org.
A great position for someone who is looking to be a tech for a few years before grad or med school.
aprecruit.ucsf.edu/JPF05424
A great position for someone who is looking to be a tech for a few years before grad or med school.
aprecruit.ucsf.edu/JPF05424
Reposted by Hannah Wayment-Steele
Join us for the 2nd Macromolecular Conformational Ensembles Conference on June 9th/10th at UCSF. The most compelling questions in structural biology cannot be effectively addressed using only a single structure. conformationalensembles.github.io @fraserlab.bsky.social
Conformational Ensemble
conformationalensembles.github.io
March 31, 2025 at 1:41 PM
Join us for the 2nd Macromolecular Conformational Ensembles Conference on June 9th/10th at UCSF. The most compelling questions in structural biology cannot be effectively addressed using only a single structure. conformationalensembles.github.io @fraserlab.bsky.social
Reposted by Hannah Wayment-Steele
someone said we need a meme
May 12, 2025 at 3:35 PM
someone said we need a meme
👏 models in nmr structure != thermodynamics 👏
Structures I’ve been part of include the top-X most probable structures. Same as how the top-X-scoring models from a Rosetta run wouldn’t be a thermodynamic ensemble.
Structures I’ve been part of include the top-X most probable structures. Same as how the top-X-scoring models from a Rosetta run wouldn’t be a thermodynamic ensemble.
While this paper looks interesting, let me just say (again) that (essentially all) NMR ensembles in the PDB are NOT thermodynamic ensembles or meant to represent these. They are "uncertainty ensembles" and using them to benchmark machine learning (or other) models of dynamics is not a good idea.
May 5, 2025 at 12:14 PM
👏 models in nmr structure != thermodynamics 👏
Structures I’ve been part of include the top-X most probable structures. Same as how the top-X-scoring models from a Rosetta run wouldn’t be a thermodynamic ensemble.
Structures I’ve been part of include the top-X most probable structures. Same as how the top-X-scoring models from a Rosetta run wouldn’t be a thermodynamic ensemble.
Really nice resource from @delalamo.xyz !!
Wanna mention the "AdK test" we're noticing newer DL methods fall short on:
many proteins (like AdK) that have apo/holo conf change sample both the apo/holo state even without ligand bound. But w/o ligand bound, they *are mainly in the apo state*
Wanna mention the "AdK test" we're noticing newer DL methods fall short on:
many proteins (like AdK) that have apo/holo conf change sample both the apo/holo state even without ligand bound. But w/o ligand bound, they *are mainly in the apo state*
April 28, 2025 at 12:59 PM
Really nice resource from @delalamo.xyz !!
Wanna mention the "AdK test" we're noticing newer DL methods fall short on:
many proteins (like AdK) that have apo/holo conf change sample both the apo/holo state even without ligand bound. But w/o ligand bound, they *are mainly in the apo state*
Wanna mention the "AdK test" we're noticing newer DL methods fall short on:
many proteins (like AdK) that have apo/holo conf change sample both the apo/holo state even without ligand bound. But w/o ligand bound, they *are mainly in the apo state*
Reposted by Hannah Wayment-Steele
Next Tues (4/29) at **4:30PM** ET, we will have @ginaelnesr.bsky.social @hkws.bsky.social present "Learning millisecond protein dynamics from what is missing in NMR spectra"
Paper: biorxiv.org/content/10.1...
Sign up on our website for zoom links!
Paper: biorxiv.org/content/10.1...
Sign up on our website for zoom links!
Learning millisecond protein dynamics from what is missing in NMR spectra
Many proteins’ biological functions rely on interconversions between multiple conformations occurring at micro-to millisecond (µs-ms) timescales. A lack of standardized, large-scale experimental data ...
biorxiv.org
April 22, 2025 at 9:08 PM
Next Tues (4/29) at **4:30PM** ET, we will have @ginaelnesr.bsky.social @hkws.bsky.social present "Learning millisecond protein dynamics from what is missing in NMR spectra"
Paper: biorxiv.org/content/10.1...
Sign up on our website for zoom links!
Paper: biorxiv.org/content/10.1...
Sign up on our website for zoom links!
Reposted by Hannah Wayment-Steele
Your yearly reminder to acknowledge the core facilities you use and their staff scientists in your papers. These scientists are a crucial part of the scientific ecosystem and to continue to exist they need tangible credit for their work. Plus their associated expertise adds credibility to your work.
April 10, 2025 at 1:38 PM
Your yearly reminder to acknowledge the core facilities you use and their staff scientists in your papers. These scientists are a crucial part of the scientific ecosystem and to continue to exist they need tangible credit for their work. Plus their associated expertise adds credibility to your work.
Reposted by Hannah Wayment-Steele
Unassigned nitrogens in nmr data often indicate biologically relevant motion in proteins, and this can be used train deep learning models of protein dynamics!
Hannah Wayment-Steele
@ginaelnesr.bsky.social @sokrypton.org
www.biorxiv.org/content/10.1...
Hannah Wayment-Steele
@ginaelnesr.bsky.social @sokrypton.org
www.biorxiv.org/content/10.1...
March 20, 2025 at 9:35 PM
Unassigned nitrogens in nmr data often indicate biologically relevant motion in proteins, and this can be used train deep learning models of protein dynamics!
Hannah Wayment-Steele
@ginaelnesr.bsky.social @sokrypton.org
www.biorxiv.org/content/10.1...
Hannah Wayment-Steele
@ginaelnesr.bsky.social @sokrypton.org
www.biorxiv.org/content/10.1...
Reposted by Hannah Wayment-Steele
Protein function often depends on protein dynamics. To design proteins that function like natural ones, how do we predict their dynamics?
@hkws.bsky.social and I are thrilled to share the first big, experimental datasets on protein dynamics and our new model: Dyna-1!
🧵
@hkws.bsky.social and I are thrilled to share the first big, experimental datasets on protein dynamics and our new model: Dyna-1!
🧵
March 20, 2025 at 3:02 PM
Protein function often depends on protein dynamics. To design proteins that function like natural ones, how do we predict their dynamics?
@hkws.bsky.social and I are thrilled to share the first big, experimental datasets on protein dynamics and our new model: Dyna-1!
🧵
@hkws.bsky.social and I are thrilled to share the first big, experimental datasets on protein dynamics and our new model: Dyna-1!
🧵
Protein dynamics was the first research to enchant me >10yrs ago, but I left in PhD bc I couldn't find big experimental data to evaluate models.
Today w @ginaelnesr.bsky.social, I'm thrilled to share the big dynamics data I've been dreaming of, and the mdl we trained w them: Dyna-1.
📝: rb.gy/de5axp
Today w @ginaelnesr.bsky.social, I'm thrilled to share the big dynamics data I've been dreaming of, and the mdl we trained w them: Dyna-1.
📝: rb.gy/de5axp
March 20, 2025 at 3:02 PM
Protein dynamics was the first research to enchant me >10yrs ago, but I left in PhD bc I couldn't find big experimental data to evaluate models.
Today w @ginaelnesr.bsky.social, I'm thrilled to share the big dynamics data I've been dreaming of, and the mdl we trained w them: Dyna-1.
📝: rb.gy/de5axp
Today w @ginaelnesr.bsky.social, I'm thrilled to share the big dynamics data I've been dreaming of, and the mdl we trained w them: Dyna-1.
📝: rb.gy/de5axp
Had a blast talking about topics ranging from the 1966 ALPAC report to pLM pitfalls on isoforms with @uwdsi.bsky.social!
Thanks to COMBEE for hosting and recording!
www.youtube.com/watch?v=Dxug...
Thanks to COMBEE for hosting and recording!
www.youtube.com/watch?v=Dxug...
ComBEE Monthly Event: AlphaFold: 25-01-28
YouTube video by UW-Madison Data Science Hub
www.youtube.com
February 18, 2025 at 3:50 AM
Had a blast talking about topics ranging from the 1966 ALPAC report to pLM pitfalls on isoforms with @uwdsi.bsky.social!
Thanks to COMBEE for hosting and recording!
www.youtube.com/watch?v=Dxug...
Thanks to COMBEE for hosting and recording!
www.youtube.com/watch?v=Dxug...
Reposted by Hannah Wayment-Steele
Today @gogs-k.bsky.social, @tlhr.bsky.social, and I are launching @bindresearch.org, a UK-based not-for-profit research startup to deliver publicly–available tools and datasets to make intrinsically disordered proteins druggable. 🍝 💊🧲 💻 🦠
February 11, 2025 at 9:26 AM
Today @gogs-k.bsky.social, @tlhr.bsky.social, and I are launching @bindresearch.org, a UK-based not-for-profit research startup to deliver publicly–available tools and datasets to make intrinsically disordered proteins druggable. 🍝 💊🧲 💻 🦠
Incredible moon over Lake Mendota waiting for the bus that iPhone can hardly do justice
Unrelated: looking for recs for tech-sensitive gloves that can handle a “feels like” of -15F 😅
Unrelated: looking for recs for tech-sensitive gloves that can handle a “feels like” of -15F 😅
January 13, 2025 at 1:34 PM
Incredible moon over Lake Mendota waiting for the bus that iPhone can hardly do justice
Unrelated: looking for recs for tech-sensitive gloves that can handle a “feels like” of -15F 😅
Unrelated: looking for recs for tech-sensitive gloves that can handle a “feels like” of -15F 😅
Good roast near NeurIPS!
December 16, 2024 at 4:45 PM
Good roast near NeurIPS!
If you enjoy MLSB please consider filling out! Statistics may help us craft proposal for next year!
Thank you to everyone who came to MLSB this year!!
We are collecting feedback in a short 2 minute survey (and more data means maybe next year we'll train a new model... or just get a bigger room 😄)
forms.gle/WHFNfvxVh3Qx...
We are collecting feedback in a short 2 minute survey (and more data means maybe next year we'll train a new model... or just get a bigger room 😄)
forms.gle/WHFNfvxVh3Qx...
MLSB Post-Conference Survey
Thank you for taking a few minutes to complete this survey about your experience at MLSB 2024 @ NeurIPS! Your feedback is valuable and ensures that we run a smooth workshop each year.
docs.google.com
December 16, 2024 at 6:39 AM
If you enjoy MLSB please consider filling out! Statistics may help us craft proposal for next year!
MLSB in its 5th year was fantastic! Here’s to passionate people from many backgrounds converging to one overcrowded room!
Time for the MLSB Panel 🎛️ We're welcoming @grocklin.bsky.social @noeliaferruz.bsky.social Erika Alden DeBenedictis @milot.bsky.social Jennifer Listgarten
to the panel, hosted by the wonderful @hkws.bsky.social . 🔥
to the panel, hosted by the wonderful @hkws.bsky.social . 🔥
December 16, 2024 at 6:07 AM
MLSB in its 5th year was fantastic! Here’s to passionate people from many backgrounds converging to one overcrowded room!
Reposted by Hannah Wayment-Steele
📣 Save the dates 📅
We are organizing a Benzon Symposium on "Protein structure prediction and design" with what I think is an amazing set of speakers
Meeting will take place in Copenhagen 🇩🇰 on Sept. 1–4, 2025, and abstract submission will open in March (benzon-foundation.dk/benzon-sympo...)
We are organizing a Benzon Symposium on "Protein structure prediction and design" with what I think is an amazing set of speakers
Meeting will take place in Copenhagen 🇩🇰 on Sept. 1–4, 2025, and abstract submission will open in March (benzon-foundation.dk/benzon-sympo...)
December 13, 2024 at 2:50 PM
📣 Save the dates 📅
We are organizing a Benzon Symposium on "Protein structure prediction and design" with what I think is an amazing set of speakers
Meeting will take place in Copenhagen 🇩🇰 on Sept. 1–4, 2025, and abstract submission will open in March (benzon-foundation.dk/benzon-sympo...)
We are organizing a Benzon Symposium on "Protein structure prediction and design" with what I think is an amazing set of speakers
Meeting will take place in Copenhagen 🇩🇰 on Sept. 1–4, 2025, and abstract submission will open in March (benzon-foundation.dk/benzon-sympo...)
First W-S lab dinner, selfie, and 0.5x selfie! Grateful so many awesome people around in what’s technically year -1 of the lab!
December 12, 2024 at 1:58 AM
First W-S lab dinner, selfie, and 0.5x selfie! Grateful so many awesome people around in what’s technically year -1 of the lab!
Reposted by Hannah Wayment-Steele
Naturally ornate RNA-only complexes revealed by cryo-EM https://www.biorxiv.org/content/10.1101/2024.12.08.627333v1
December 9, 2024 at 2:48 PM
Naturally ornate RNA-only complexes revealed by cryo-EM https://www.biorxiv.org/content/10.1101/2024.12.08.627333v1
Re docking: @workshopmlsb.bsky.social has been piloting a leaderboard for the PLINDER benchmark. It would be awesome to get submissions using existing methods, then everyone can see comparisons better 😁
leaderboard & instructions are on mlsb.io
leaderboard & instructions are on mlsb.io
December 9, 2024 at 4:15 PM
Re docking: @workshopmlsb.bsky.social has been piloting a leaderboard for the PLINDER benchmark. It would be awesome to get submissions using existing methods, then everyone can see comparisons better 😁
leaderboard & instructions are on mlsb.io
leaderboard & instructions are on mlsb.io
I think Bucky liked my nmr hoodie ☺️ @nmrfam.bsky.social @uwbiochem.bsky.social
December 1, 2024 at 5:38 AM
I think Bucky liked my nmr hoodie ☺️ @nmrfam.bsky.social @uwbiochem.bsky.social
This past year, the organizers at @workshopmlsb.bsky.social partnered with PRX Life to create a special collection focused on the topic of "machine learning in structural biology". Was a pleasure to work together trying to create a venue for workshop papers!
journals.aps.org/prxlife/abst...
journals.aps.org/prxlife/abst...
Editorial: Machine Learning for Structural Biology
PRX Life 2, 040001 (2024)
journals.aps.org
November 22, 2024 at 1:01 AM
This past year, the organizers at @workshopmlsb.bsky.social partnered with PRX Life to create a special collection focused on the topic of "machine learning in structural biology". Was a pleasure to work together trying to create a venue for workshop papers!
journals.aps.org/prxlife/abst...
journals.aps.org/prxlife/abst...