I received many requests to share materials from our undergraduate course “Machine Learning in Chemistry”
— here you go!
A preprint summarizing insights and lessons learned:
chemrxiv.org/engage/chemr...
A Jupyter Notebook Tutorial Gallery:
xuhuihuang.github.io/mlchem/html/...
We teamed up with @xuhuihuangchem.bsky.social to perform structural modeling and substrate docking to gain insights into the beneficial mutations.
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Xuhui Huang
Jeff Martell
The semester is wrapping up! I gave my final Chem361 lecture last Thur. Looking forward to next week's final project presentations - every student who passes will receive a custom 3D-printed keychain I designed as a souvenir for the inaugural ML in Chemistry class!
Huge congratulations to Bojun Liu on an outstanding Ph.D. defense!
Even more special: Bojun is our group’s 20th Ph.D. graduate and won the Boomer Award on the same day!
Wishing you all the best in your postdoc journey with
@binzmit.bsky.social
The 2nd Nat. Chem. Bio. paper led by Sasha is out! @nyumedpostdocs.bsky.social
While our Aug study revealed how ApaH decaps Np4A-capped RNAs, this work uncovers how RNAP adds the Np4As during transcription initiation.
Happy our group could contribute in a small way. Congs!
Excited to see our IGME models applied to unravel the free energy landscape of the tetra-nucleosome. Wonderful collaboration with @binzmit.bsky.social! Congrats to all the authors!
Big congratulations to Frank on receiving this year’s Hirschfelder Prize! Excited to welcome Frank and Cecilia to Madison in late Oct!
Our recent preprint shows that metastable, short-lived PPIs captured by MD and IGME define key design targets for PROTACs, enabling rational discovery of sub-nanomolar RIPK1 degraders.
Great collab w/ Weiping Tang! Congrats to Yue & co-authors!
chemrxiv.org/doi/full/10....
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RPA, long known for its role in DNA replication and repair, is now shown to boost telomerase activity!
Big congrats to @cijilim.bsky.social's lab for this milestone achievement!
Glad our lab (via Michael O’Connor) could contribute to this collaboration!
Xuhui Huang
If you’re attending #Pacifichem2025 ( @pacifichem.bsky.social ifichem.bsky.social) next week, please stop by our symposium on ML for Biomolecular Dynamics!
Dates: December 17-18, 2025
Venue: Room317A, Hawaii Convention Center.
pacifichem.org
What a great #Pacifichem2025! @pacifichem.bsky.social Thanks to all the speakers and participants for an outstanding symposium on ML for biomolecular dynamics.
Exciting science and wonderful conversations! See you at the next Pacifichem in 5 years!
Xuhui Huang
Xuhui Huang
Xuhui Huang
Xuhui Huang
Xuhui Huang
My focus for Spring 2025: launching an undergraduate course developed from scratch - "Chem361: Machine Learning in Chemistry"! @UW-Madison Chemistry
Here's a glimpse of what we'll explore:
Xuhui Huang
Xuhui Huang
Xuhui Huang
Xuhui Huang
If you’re attending #Pacifichem2025 ( @pacifichem.bsky.social ifichem.bsky.social) next week, please stop by our symposium on ML for Biomolecular Dynamics!
Dates: December 17-18, 2025
Venue: Room317A, Hawaii Convention Center.
pacifichem.org
Just one week left! Please consider submitting an abstract to our Pacifichem 2025 @pacifichem.bsky.social symposium on machine learning for biomolecular dynamics. Deadline: April 2!
Xuhui Huang
Just one week left! Please consider submitting an abstract to our Pacifichem 2025 @pacifichem.bsky.social symposium on machine learning for biomolecular dynamics. Deadline: April 2!
Xuhui Huang
Xuhui Huang
Our paper in Science is out! @souravagrawal.bsky.social, @rlynn.bsky.social, @susvirkar.bsky.social, and the rest of the team show human RPA is a telomerase processivity factor essential for telomere maintenance. This reshapes our thinking about telomerase regulation. www.science.org/doi/10.1126/...
Telomerase counteracts telomere shortening by repeatedly adding DNA repeats to chromosome ends. We identified the replication protein A (RPA) heterotrimer as a telomerase processivity factor critical ...
