AI-powered exploration of protein dynamics and chemical kinetics
Official title: Generative AI-Powered Exploration of Protein Dynamics and Non-Deterministic Chemical Kinetics
Funded at Southern Methodist University · NIH-11331682 · Data updated 2026-11-12
A computer-based research project will use advanced AI and physics-based simulations to study how proteins move and catalyze reactions, with a focus on enabling discoveries that could help fight viral infections and other diseases.
Quick facts
| Grant type | NIH-funded research |
|---|---|
| Study type | NIH-funded research |
| Funding institution | Southern Methodist University NIH-funded |
| Lab location | 1 site (Dallas, United States) |
| Project start | June 1, 2026 |
| Project end | February 28, 2031 |
| Funding year | 2026 |
| Award (this year) | $447,174 |
| NIH project number | 1R35GM164072-01 |
| Project ID | NIH-11331682 on NIH RePORTER |
Who could benefit from this research
✓Could help
Not applicable for this grant type as described; the project is computational and does not specify enrolment of patients.
✕Less likely to help
Patients are not directly enrolled; findings may inform future therapies rather than immediate patient participation.
What this research studies
This project uses molecular mechanics, quantum mechanics, and their combination to model how proteins change shape and control chemical reactions. It includes developing user-friendly online tools to share computational methods with other researchers. Over five years, the work aims to deepen understanding of protein allostery, enzyme catalysis, and fundamental reaction mechanisms, leveraging AI to accelerate insights.
Why it matters
Potential benefit: If successful, this work could speed up the discovery of antiviral and other therapeutic strategies by revealing how proteins function and how reactions occur at the atomic level.
How similar studies have gone: Previous work has shown that AI-augmented simulations can reveal new insights into protein dynamics and catalysis, with growing success in computational drug discovery.
Where this research is happening
-
Southern Methodist University
Dallas, United States Active
Researchers
- Principal investigator: Tao, Peng — Southern Methodist University
- Study coordinator: Tao, Peng
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.