How important proteins change shape and work
Official title: Physics-based characterization of functionally relevant protein conformational dynamics
Funded at University of Arkansas at Fayetteville · NIH-11177005 · Data updated 2026-11-12
Using advanced computer simulations, researchers will map how human proteins tied to infection and mood regulation, like the coronavirus spike and serotonin transporter, change shape to help guide future treatments.
Quick facts
| Grant type | NIH-funded research |
|---|---|
| Study type | NIH-funded research |
| Funding institution | University of Arkansas at Fayetteville NIH-funded |
| Lab location | 1 site (Fayetteville, United States) |
| Project start | September 15, 2022 |
| Project end | August 31, 2027 |
| Funding year | 2025 |
| Award (this year) | $363,842 |
| NIH project number | 5R35GM147423-04 |
| Project ID | NIH-11177005 on NIH RePORTER |
Who could benefit from this research
✓Could help
People affected by COVID-19, individuals with serotonin-related mood conditions, or anyone interested in contributing samples or following research on these proteins are most likely to connect with this work.
✕Less likely to help
Patients with health issues unrelated to the specific proteins under study or those seeking immediate clinical treatment are unlikely to receive direct benefit from this computational research.
What this research studies
This project uses cutting-edge molecular simulations to watch and characterize large shape changes in proteins that are hard to capture with standard methods. The team will refine enhanced sampling and path-finding algorithms and combine their models with experimental data when available. They will apply these methods to health-relevant proteins such as the coronavirus spike and the serotonin transporter to understand how movements relate to function. The aim is to produce practical simulation protocols and models that other researchers can use to design better drugs, vaccines, or diagnostics.
Why it matters
Potential benefit: If successful, the work could speed development of improved antivirals, vaccines, or drugs for conditions linked to these proteins by revealing how targets move and interact.
How similar studies have gone: Molecular dynamics and enhanced sampling methods have previously provided useful insights into other proteins, but applying tailored algorithms to large conformational changes remains a frontier with partial prior success.
Where this research is happening
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University of Arkansas at Fayetteville
Fayetteville, United States Active
Researchers
- Principal investigator: Moradi, Mahmoud — University of Arkansas at Fayetteville
- Study coordinator: Moradi, Mahmoud
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.