How distant protein mutations change binding to other molecules
Using dynamic network models to quantitatively predict changes in binding affinity/specificity that arise from long-range amino acid substitutions
This project builds computer models to predict when mutations far from a protein’s binding site change how that protein interacts, which could help people affected by viral infections or genetic variants.
Quick facts
| Grant type | R01 grant |
|---|---|
| Study type | NIH-funded research |
| Funding institution | Arizona State University-Tempe Campus NIH-funded |
| Lab location | 1 site (Scottsdale, United States) |
| Project ID | NIH-11178464 on NIH RePORTER |
What this research studies
Researchers use molecular dynamics simulations to map how proteins move as a whole and then apply force perturbations to mimic the effect of binding. They model how amino acid changes far from binding sites can alter those dynamic networks and change binding affinity or specificity. Predictions are compared to existing lab data and known viral or human variants to improve accuracy. The team aims to prioritize which mutations are likely to matter for disease or therapy design so genetic test results and antiviral strategies become clearer.
Who could benefit from this research
Good fit: People with viral infections (for example SARS-CoV-2) or individuals who carry unexplained protein-coding genetic variants could be the most relevant to the results of this work.
Not a fit: People whose conditions are unrelated to protein-binding changes or who do not carry relevant mutations are unlikely to see direct benefit.
Why it matters
Potential benefit: If successful, this could speed up identification of harmful viral or human mutations and guide development of better treatments and interpretation of genetic tests.
How similar studies have performed: Related molecular-dynamics and computational approaches have had success predicting some mutation effects, but forecasting long-range substitution impacts remains challenging and partly novel.
Where this research is happening
Scottsdale, United States
- Arizona State University-Tempe Campus — Scottsdale, United States (Active)
Researchers
- Principal investigator: Ozkan, Sefika Banu — Arizona State University-Tempe Campus
- Study coordinator: Ozkan, Sefika Banu
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.