How HIV's outer spike protein moves and changes shape
Combining Molecular Simulations and Biophysical Methods to Characterize Conformational Dynamics of the HIV-1 Envelope Glycoprotein
['FUNDING_R01'] · DREXEL UNIVERSITY · NIH-11126022
Using computer simulations and lab measurements to map how the HIV spike protein shifts shape to help guide better vaccines and entry-blocking drugs for people living with HIV.
Quick facts
| Phase | ['FUNDING_R01'] |
|---|---|
| Study type | Nih_funding |
| Sex | All |
| Sponsor | DREXEL UNIVERSITY (nih funded) |
| Locations | 1 site (PHILADELPHIA, UNITED STATES) |
| Trial ID | NIH-11126022 on ClinicalTrials.gov |
What this research studies
Researchers will run advanced molecular dynamics computer simulations alongside laboratory biophysical experiments (like crosslinking mass spectrometry and single-molecule FRET) to model the HIV-1 envelope (Env) protein as it shifts between closed and open shapes. They will focus on a poorly characterized 'State-1' conformation that may be important for how the immune system recognizes the virus and how small molecules can block entry. Computational paths such as targeted MD, temperature-accelerated MD, and the string method will be used to generate atom-level models of Env transitions that are then compared with experimental data. The combined approach aims to reveal vulnerable shapes of Env that vaccine designers and drug developers could target.
Who could benefit from this research
Good fit: This project does not enroll patients; it is laboratory and computer-based research on the HIV envelope protein, though people living with HIV may benefit from downstream therapies developed using the results.
Not a fit: People seeking immediate treatment changes or direct clinical benefit should not expect personal benefit from this preclinical, non‑clinical research.
Why it matters
Potential benefit: If successful, this work could point researchers to specific Env shapes to target, improving future vaccines and drugs that block HIV entry.
How similar studies have performed: Prior structural studies and single-molecule experiments have mapped major open and closed Env states and support this combined computational/biophysical approach, but the proposed modeling of the uncharacterized State-1 conformation is novel.
Where this research is happening
PHILADELPHIA, UNITED STATES
- DREXEL UNIVERSITY — PHILADELPHIA, UNITED STATES (ACTIVE)
Researchers
- Principal investigator: ABRAMS, CAMERON F — DREXEL UNIVERSITY
- Study coordinator: ABRAMS, CAMERON F
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.