Developing faster and more accurate models for drug design against the coronavirus
Next generation implicit solvation for atomistic modeling
This study is working on new computer models to better understand how potential COVID-19 drugs can interact with the virus, which could help find effective treatments faster and make the drug development process easier for everyone involved.
Quick facts
| Grant type | R01 grant |
|---|---|
| Study type | NIH-funded research |
| Funding institution | Virginia Polytechnic Inst and St Univ NIH-funded |
| Lab location | 1 site (Blacksburg, United States) |
| Project ID | NIH-11002703 on NIH RePORTER |
What this research studies
This research focuses on creating advanced computational models that simulate how drugs interact with the coronavirus, specifically targeting the SARS-CoV-2 virus. By developing implicit solvation models that are both faster and more accurate than traditional methods, the research aims to enhance the prediction of how well potential drugs can bind to viral proteins. This could significantly speed up the drug design process, making it easier to identify effective treatments for COVID-19. The project will utilize innovative strategies to improve the accuracy and efficiency of these models, ultimately benefiting the field of biomedical research.
Who could benefit from this research
Good fit: Patients who are at risk of severe COVID-19 or those who have been diagnosed with the virus may benefit from this research.
Not a fit: Patients with conditions unrelated to COVID-19 or those who are not infected with the virus may not receive any benefit from this research.
Why it matters
Potential benefit: If successful, this research could lead to the rapid identification of effective treatments for COVID-19, improving patient outcomes.
How similar studies have performed: Other research has shown success in using computational models for drug design, indicating that this approach has the potential for significant advancements.
Where this research is happening
Blacksburg, United States
- Virginia Polytechnic Inst and St Univ — Blacksburg, United States (Active)
Researchers
- Principal investigator: Onufriev, Alexey Vlad — Virginia Polytechnic Inst and St Univ
- Study coordinator: Onufriev, Alexey Vlad
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.