Liwei Chang
@liweichang.bsky.social
๐ค 55
๐ฅ 153
๐ 10
Interested in molecules, small and large.
Sharing here as well โ consider adding this to your or your fav llmโs reading list if you want a dive into 1) protein folding, 2) limitation of AlphaFold and what it learned. You could be one step closer to solve the protein folding problem.
www.nature.com/articles/s41...
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Rapid estimation of protein folding pathways from sequence alone using AlphaFold2 - Nature Communications
Researchers find that AlphaFold2, despite imperfections, reveals folding intermediates and pathways, showing it has learned key folding principles.
https://www.nature.com/articles/s41467-025-66870-x
27 days ago
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How does ramen assemble in warming soup โ the ultimate scientific challenge ๐ - Entropy-driven noodle arrangement - Hydration kinetics - Diffusion and buoyancy activated topping sorting โฆ
add a skeleton here at some point
6 months ago
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reposted by
Liwei Chang
Kresten Lindorff-Larsen
6 months ago
An Evaluation of Biomolecular Energetics Learned by AlphaFold by Lyu, Herschlag et al
doi.org/10.1101/2025...
Interesting comparison of AF2/3 structures with the PDB (AF2 appears better) Reminder: The PDB itself is probably biased relative to solution conformational ensembles and energetics
add a skeleton here at some point
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Liwei Chang
Adrian Roitberg
about 1 year ago
Ever wanted to predict protein NMR chemical shifts accurately and very very fast ? Great new paper from MIkailya Darrows
@mdarrows.bsky.social
.
chemrxiv.org/engage/chemr...
Comments are welcome !
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LEGOLAS: a Machine Learning method for rapid and accurate predictions of protein NMR chemical shifts.
This work introduces LEGOLAS, a fully open source TorchANI-based neural network model designed to predict NMR chemical shifts for protein backbone atoms. LEGOLAS has been designed to be fast, and with...
https://chemrxiv.org/engage/chemrxiv/article-details/6776ea28fa469535b991c521
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reposted by
Liwei Chang
Rommie Amaro
about 1 year ago
For those following the
@prof-ajay-jain.bsky.social
/Cleaves/
@wpwalters.bsky.social
preprint re: DiffDock
@gcorso.bsky.social
I have read some of the back-&-forth between the author groups As a practitioner in the field for > 20 yrs (academic side), here is my take: ๐งต
add a skeleton here at some point
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Liwei Chang
Frank Noe
about 1 year ago
Super excited to preprint our work on developing a Biomolecular Emulator (BioEmu): Scalable emulation of protein equilibrium ensembles with generative deep learning from
@msftresearch.bsky.social
ch AI for Science.
www.biorxiv.org/content/10.1...
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