Liwei Chang
@liweichang.bsky.social
Interested in molecules, small and large.
How does ramen assemble in warming soup — the ultimate scientific challenge 🍜
- Entropy-driven noodle arrangement
- Hydration kinetics
- Diffusion and buoyancy activated topping sorting
…
- Entropy-driven noodle arrangement
- Hydration kinetics
- Diffusion and buoyancy activated topping sorting
…
In new studies, the Baker lab outlines two different ways to bind previously "undruggable" disordered proteins using diffusion AI models.
Come for the science, stay for the pasta analogies:
#bioML 🖥️🩺🧬🧪
www.statnews.com/2025/07/17/n...
Come for the science, stay for the pasta analogies:
#bioML 🖥️🩺🧬🧪
www.statnews.com/2025/07/17/n...
Undruggable ‘disordered’ proteins become druggable with new AI techniques from David Baker
In a new study, Nobel laureate David Baker and colleagues detail new methods for targeting undruggable "disordered" proteins.
www.statnews.com
July 18, 2025 at 11:43 PM
How does ramen assemble in warming soup — the ultimate scientific challenge 🍜
- Entropy-driven noodle arrangement
- Hydration kinetics
- Diffusion and buoyancy activated topping sorting
…
- Entropy-driven noodle arrangement
- Hydration kinetics
- Diffusion and buoyancy activated topping sorting
…
Reposted by Liwei Chang
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
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
July 5, 2025 at 4:23 PM
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
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
Reposted by Liwei Chang
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 !
Comments are welcome !
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...
chemrxiv.org
January 3, 2025 at 5:34 PM
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 !
Comments are welcome !
Reposted by Liwei Chang
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: 🧵
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: 🧵
@dereklowe.bsky.social honing in on the same bottom line message from @wpwalters.bsky.social @prof-ajay-jain.bsky.social
it's so true and hits so hard:
it's so true and hits so hard:
December 9, 2024 at 3:46 AM
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: 🧵
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: 🧵
Reposted by Liwei Chang
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...
www.biorxiv.org/content/10.1...
December 6, 2024 at 8:39 AM
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...
www.biorxiv.org/content/10.1...