Computational tools to predict and design enzyme variants
Official title: Developing Computational Tools for Predicting and Designing Function-Enhancing Enzyme Variants
Funded at Vanderbilt University · NIH-11396423 · Data updated 2026-11-12
A computer-based project that aims to design better enzyme variants to speed up helpful chemical reactions and potentially treat diseases.
Quick facts
| Grant type | NIH-funded research |
|---|---|
| Study type | NIH-funded research |
| Funding institution | Vanderbilt University NIH-funded |
| Lab location | 1 site (Nashville, UNITED STATES) |
| Project start | September 15, 2022 |
| Project end | August 31, 2027 |
| Funding year | 2026 |
| Award (this year) | $369,052 |
| NIH project number | 5R35GM146982-05 |
| Project ID | NIH-11396423 on NIH RePORTER |
Who could benefit from this research
✓Could help
Ideal candidates are patients whose conditions could be impacted by enzyme-based therapies or by improved biotechnologies developed using these tools.
✕Less likely to help
Patients would not directly benefit from the computational work until enzyme-based therapies or related technologies are developed.
What this research studies
From a patient-facing view, this grant focuses on building advanced computer tools to predict how changes in enzymes affect their performance. The effort combines large data collections, quantum-style calculations, and high-throughput screening to guide the design of improved enzymes. While the work is foundational and computational, its goal is to enable faster discovery of enzyme variants that could help treat diseases or clean up pollutants in the environment. The project plans to integrate data and methods to predict how mutations change enzyme kinetics and function. If successful, these tools could accelerate development of therapies or biotechnologies that benefit patients in the future.
Why it matters
Potential benefit: If successful, the tools could speed up the creation of enzymes that help treat diseases or enable safer, more effective biotechnologies for patients.
How similar studies have gone: Previous work in computational enzyme design has shown promise in identifying useful variants, though the field is rapidly evolving and continues to require robust validation.
Where this research is happening
-
Vanderbilt University
Nashville, United States Active
Researchers
- Principal investigator: Yang, Zhongyue — Vanderbilt University
- Study coordinator: Yang, Zhongyue
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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.