Modeling how macromolecules interact inside living cells
Official title: Modeling of macromolecular interactions in the cell
Funded at University of Kansas Lawrence · NIH-11335577 · Data updated 2026-11-12
A researchers team will use advanced computer models to simulate how big proteins and other molecules interact inside cells, aiming to understand the energy landscapes and dynamics of these interactions.
Quick facts
| Grant type | NIH-funded research |
|---|---|
| Study type | NIH-funded research |
| Funding institution | University of Kansas Lawrence NIH-funded |
| Lab location | 1 site (Lawrence, United States) |
| Project start | June 1, 2025 |
| Project end | May 31, 2030 |
| Funding year | 2026 |
| Award (this year) | $376,629 |
| NIH project number | 5R35GM156453-02 |
| Project ID | NIH-11335577 on NIH RePORTER |
Who could benefit from this research
✓Could help
Ideal candidates are patients whose conditions involve cellular processes and protein interactions where future therapies could be informed by improved models of macromolecular behavior.
✕Less likely to help
Patients not directly linked to diseases driven by intracellular macromolecular interactions may see indirect benefits through broader scientific advances.
What this research studies
This project uses all-atom simulations guided by docking results to explore how macromolecules attract and interact within the crowded environment of the cell. It will sample energy landscapes, run long-timescale simulations, and develop public resources so others can use the methods. The goal is to make predictions about how these interactions happen in real cellular contexts and to provide researchers with better tools to study cellular processes. If you have a condition linked to protein interactions in cells, these insights could inform future therapies by clarifying how molecules communicate inside your cells.
Why it matters
Potential benefit: Better understanding of cellular protein interactions could lead to improved drug targeting and new approaches to treat diseases involving misregulated molecular interactions.
How similar studies have gone: Earlier work has shown that combining docking with all-atom simulations can extend timescales and improve accuracy for modeling molecular interactions.
Where this research is happening
-
University of Kansas Lawrence
Lawrence, United States Active
Researchers
- Principal investigator: Vakser, Ilya — University of Kansas Lawrence
- Study coordinator: Vakser, Ilya
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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.