Improving drug discovery using advanced computational models
Official title: Enhancing Drug Discovery Research by Free Energy Modeling
Funded at Brooklyn College · NIH-10730788 · Data updated 2026-11-12
This study is working on a new way to help scientists better predict how well drugs will connect with their target proteins, making it easier for them to discover new medicines, and it also aims to teach students and researchers the skills they need in this important field.
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, 2026 |
| Funding year | 2023 |
| Award (this year) | $455,870 |
| NIH project number | 1R15GM151708-01 |
| Project ID | NIH-10730788 on NIH RePORTER |
Who could benefit from this research
✓Could help
Ideal candidates for this research are individuals involved in drug development or those interested in the scientific aspects of molecular modeling and drug interactions.
✕Less likely to help
Patients who are not involved in drug development or do not have an interest in molecular modeling may not receive direct benefits from this research.
What this research studies
This research focuses on enhancing the accuracy of computational models that predict how well drugs bind to their target proteins. By developing a new method called the Alchemical Transfer Method (ATM), the project aims to make these models more accessible and applicable in both academic and industrial drug discovery settings. The research will also provide training and support for students and researchers in molecular modeling, helping to build expertise in this critical area. Ultimately, the goal is to improve the efficiency of drug discovery processes by overcoming existing limitations in current modeling techniques.
Why it matters
Potential benefit: If successful, this research could lead to faster and more effective drug discovery, ultimately benefiting patients by bringing new treatments to market more quickly.
How similar studies have gone: Other research has shown success with similar computational modeling approaches, indicating a promising avenue for drug discovery advancements.
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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Enhancing Drug Discovery with Free Energy Modeling
A college project is developing improved computer methods to predict how strongly proteins and drugs stick together, helping scientists discover new medicines.
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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.