Biomolecule Modeling Tools and Software for Cancer Research
Official title: Theory and Modeling of Biomolecules and their Interactions - Equipment Supplement
Funded at University of Michigan at Ann Arbor · NIH-11528307 · Data updated 2026-11-12
Aims to develop and test computer-based tools to study how biomolecules interact, helping cancer researchers better understand how molecules bind and work.
Quick facts
| Grant type | NIH-funded research |
|---|---|
| Study type | NIH-funded research |
| Funding institution | University of Michigan at Ann Arbor NIH-funded |
| Lab location | 1 site (Ann Arbor, United States) |
| Project start | February 1, 2019 |
| Project end | March 31, 2029 |
| Funding year | 2026 |
| Award (this year) | $204,960 |
| NIH project number | 3R35GM130587-08S1 |
| Project ID | NIH-11528307 on NIH RePORTER |
Who could benefit from this research
✓Could help
Ideal candidates are researchers and institutions studying cancer biology who use molecular modeling to inform drug design or understanding biomolecular interactions.
✕Less likely to help
This project focuses on software and methods development; direct patient participation is not required.
What this research studies
This grant supports improving theory and computer simulations that model how biological molecules behave and interact, focusing on cancer-related questions. It includes developing and applying methods for free energy calculations, docking, and receptor-ligand modeling, plus enhancing constant pH molecular dynamics to reflect real cellular conditions. Software infrastructure, especially the CHARMM package, will be refined and shared with the broader biomedical community. The work will include strategic collaborations to test these methods on important biomedical questions and cancer-relevant targets.
Why it matters
Potential benefit: If successful, these tools could speed up discovery of cancer therapies by providing more accurate predictions of how drugs bind to targets.
How similar studies have gone: Previous similar approaches in molecular modeling and free energy methods have advanced drug design and biomolecular understanding, though broad adoption varies by system.
Where this research is happening
-
University of Michigan at Ann Arbor
Ann Arbor, United States Active
Researchers
- Principal investigator: Brooks, Charles L — University of Michigan at Ann Arbor
- Study coordinator: Brooks, Charles L
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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.