Creating advanced tools for drug discovery
Official title: Computational Infrastructure for Automated Force Field Development and Optimization
Funded at Attmos INC. · NIH-10932792 · Data updated 2026-11-12
This study is working on a new computer system that helps find better drugs by predicting how well they connect with proteins linked to diseases, making it easier to discover and improve potential treatments before they are tested in people.
Quick facts
| Grant type | Sbir 2 grant |
|---|---|
| Study type | NIH-funded research |
| Funding institution | Attmos INC. NIH-funded |
| Lab location | 1 site (East Lansing, UNITED STATES) |
| Project start | September 30, 2023 |
| Project end | September 14, 2026 |
| Funding year | 2024 |
| Award (this year) | $1,146,639 |
| NIH project number | 4R44GM150347-02 |
| Project ID | NIH-10932792 on NIH RePORTER |
Who could benefit from this research
✓Could help
Ideal candidates for benefiting from this research include individuals with diseases that are currently being targeted for new drug development.
✕Less likely to help
Patients with conditions that are not being studied or targeted by the drug discovery efforts may not receive any benefit from this research.
What this research studies
This research aims to develop a new computational infrastructure that enhances the process of drug discovery by predicting how drug molecules bind to proteins associated with diseases. It focuses on improving the accuracy of binding predictions through a system called the Automated Force Field Developer and Optimizer (AFFDO), which will generate high-quality datasets and models. By utilizing advanced computational methods, the project seeks to streamline the identification of potential drug candidates and optimize their effectiveness before they reach clinical trials.
Why it matters
Potential benefit: If successful, this research could lead to more reliable drug candidates entering clinical trials, potentially resulting in more effective treatments for patients.
How similar studies have gone: Other research has shown success in improving drug discovery processes through computational methods, indicating that this approach has the potential for significant advancements.
Where this research is happening
-
Attmos INC.
East Lansing, United States Active
Researchers
- Principal investigator: Manathunga, Madushanka — Attmos INC.
- Study coordinator: Manathunga, Madushanka
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.