How tiny molecular events control sodium channels in nerves and the heart
Elucidating mechanisms of rare events underlying protein function with short molecular dynamics simulations and physics-informed machine learning
Using short computer simulations combined with physics-informed machine learning to reveal how sodium channels in nerves, muscles, and the heart change shape and contribute to conditions like epilepsy, chronic pain, paralysis, or arrhythmias.
Quick facts
| Grant type | NIH-funded research |
|---|---|
| Study type | NIH-funded research |
| Funding institution | University of Chicago NIH-funded |
| Lab location | 1 site (Chicago, United States) |
| Project ID | NIH-11260710 on NIH RePORTER |
What this research studies
Researchers run many short molecular dynamics simulations and use physics-guided neural networks and basis-expansion methods to stitch together the rare, slow molecular events that control protein behavior. They apply these tools to voltage-gated sodium channels that start electrical signals in nerves, muscles, and the heart, and they will begin work on mechanosensing proteins as well. The team leverages new cryo-EM structures and collaborates with experimental labs to connect simulated motions to laboratory observations. The goal is to reveal microscopic steps in these proteins that could become targets for new therapies or diagnostics.
Who could benefit from this research
Good fit: People with epilepsy, chronic neuropathic pain, certain hereditary paralysis disorders, or cardiac arrhythmias—especially if linked to sodium channel problems—would be most relevant for future related studies or sample donation.
Not a fit: Patients with conditions unrelated to sodium channel or mechanosensing defects or those needing immediate clinical treatment are unlikely to see direct benefit from this basic computational research.
Why it matters
Potential benefit: If successful, this work could reveal new molecular targets for drugs or better diagnostics for epilepsy, chronic pain, paralysis, and cardiac arrhythmias.
How similar studies have performed: Related molecular simulation and machine-learning approaches have clarified mechanisms for proteins like insulin dimers and voltage sensors, but applying them to sodium channels and mechanosensing is relatively new.
Where this research is happening
Chicago, United States
- University of Chicago — Chicago, United States (Active)
Researchers
- Principal investigator: Dinner, Aaron — University of Chicago
- Study coordinator: Dinner, Aaron
About this research
- This is an active NIH-funded research project — typically early-stage science, not a clinical trial accepting patient enrollment.
- Some NIH-funded labs run parallel clinical studies or seek volunteers for related work. To check, contact the principal investigator or institution listed above.
- For full project details, budget, and progress reports, visit the official NIH RePORTER page below.