How biological molecules change shape
Macromolecular Conformational Heterogeneity
Researchers are improving computer models of how molecules like RNA and antibodies change shape so people with cancer, infections, or immune-related conditions may benefit from better-targeted treatments.
Quick facts
| Grant type | NIH-funded research |
|---|---|
| Study type | NIH-funded research |
| Funding institution | University of Maryland Baltimore NIH-funded |
| Lab location | 1 site (Baltimore, United States) |
| Project ID | NIH-11333742 on NIH RePORTER |
What this research studies
This project uses advanced computer simulations and lab data to map the different shapes that important biological molecules can take. The team refines the mathematical rules (force fields) that control those simulations and develops better ways to sample possible shapes. They apply these tools to systems such as RNA folding, sugar chains on proteins (glycans), and antibody–receptor interactions that affect immune signaling. The work is done at the University of Maryland Baltimore and supports collaborations aimed at therapies relevant to cancer and infectious diseases.
Who could benefit from this research
Good fit: The people most likely to be connected to this work are patients with cancers or communicable diseases who may later be eligible for trials or therapies informed by improved molecular models.
Not a fit: Patients with conditions unrelated to molecular-targeted drugs or immune therapies are unlikely to see any direct benefit from this project.
Why it matters
Potential benefit: If successful, this work could help scientists design more precise drugs and improve antibody-based therapies for people with cancer, infections, or immune disorders.
How similar studies have performed: Prior advances in molecular simulations and force fields have supported drug discovery and antibody design, but extending models to glycans, Mg2+ effects, and polarizable force fields is newer and still being tested.
Where this research is happening
Baltimore, United States
- University of Maryland Baltimore — Baltimore, United States (Active)
Researchers
- Principal investigator: Mackerell, Alexander D — University of Maryland Baltimore
- Study coordinator: Mackerell, Alexander D
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.