Enhancing Drug Discovery with Free Energy Modeling
Official title: Enhancing Drug Discovery Research by Free Energy Modeling
Funded at Brooklyn College · NIH-11444257 · Data updated 2026-11-12
A college project is developing improved computer methods to predict how strongly proteins and drugs stick together, helping scientists discover new medicines.
Quick facts
| Grant type | R15 grant |
|---|---|
| Study type | NIH-funded research |
| Funding institution | Brooklyn College NIH-funded |
| Lab location | 1 site (New York, United States) |
| Project start | September 25, 2023 |
| Project end | August 31, 2029 |
| Funding year | 2026 |
| Award (this year) | $566,840 |
| NIH project number | 2R15GM151708-02 |
| Project ID | NIH-11444257 on NIH RePORTER |
Who could benefit from this research
✓Could help
Researchers, students, and clinicians who collaborate on computational drug discovery projects may participate by using the improved tools and methods.
✕Less likely to help
Direct patient participation is not required for this computational grant; benefits accrue through faster translation of discoveries.
What this research studies
This grant aims to advance computational methods that estimate binding strengths between proteins and drugs at an atomic level. It focuses on extending an existing approach, the Alchemical Transfer Method, to handle protein–protein interactions and more complex protonation states. The work will be integrated with experimental health-science projects at Brooklyn College, while also providing hands-on learning and research opportunities for students. The project plans to lower barriers for academic and industrial researchers to adopt advanced free energy models in real-world drug discovery. By doing so, it seeks to broaden access to powerful tools and accelerate scientific progress.
Why it matters
Potential benefit: If successful, patients may benefit from faster and more accurate drug discovery pipelines leading to new therapies.
How similar studies have gone: Previous work with free energy methods shows promise, and extending ATM to new systems is a logical next step with potential for impactful outcomes.
Where this research is happening
-
Brooklyn College
New York, United States Active
Researchers
- Principal investigator: Gallicchio, Emilio — Brooklyn College
- Study coordinator: Gallicchio, Emilio
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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.