# Multiscale Computational Microscopy of HIV-1

> **NIH NIH R01** · UNIVERSITY OF CALIFORNIA, SAN DIEGO · 2023 · $713,887

## Abstract

ABSTRACT
The human immunodeficiency virus 1 (HIV-1) is the RNA retrovirus that causes acquired
immunodeficiency syndrome (AIDS), a disease that has killed over 40 million people worldwide
and infected more than twice that. Continued high infection rates has made understanding of
HIV biology and vaccines a high priority. A key molecule involved in both infection and vaccine
efforts is the HIV-1 Envelope protein (Env). Experimental structural biology techniques have
characterized the basic structure of Env, but they are unable to provide details about the
extensive N-linked glycan shield nor inform on the flexibility and dynamics of Env. In this
proposal, we envision using all-atom molecular dynamics simulations as a `computational
microscope,' to provide insights into the dynamics of Env that are unattainable with current
experimental techniques. Together with top flight experimentalists, we will develop and simulate
a series of models to explore the dynamics of Env as well as its interactions with co-receptors
and the cell glycocalyx, in unprecedented detail. In addition, we will use advanced simulation
techniques to optimize immunogen design as well as provide critical information about hitherto
unseen druggable sites in Env.

## Key facts

- **NIH application ID:** 10756808
- **Project number:** 1R01AI179188-01
- **Recipient organization:** UNIVERSITY OF CALIFORNIA, SAN DIEGO
- **Principal Investigator:** Rommie E Amaro
- **Activity code:** R01 (R01, R21, SBIR, etc.)
- **Funding institute:** NIH
- **Fiscal year:** 2023
- **Award amount:** $713,887
- **Award type:** 1
- **Project period:** 2023-07-07 → 2028-06-30

## Primary source

NIH RePORTER: https://reporter.nih.gov/project-details/10756808

## Citation

> US National Institutes of Health, RePORTER application 10756808, Multiscale Computational Microscopy of HIV-1 (1R01AI179188-01). Retrieved via AI Analytics 2026-05-24 from https://api.ai-analytics.org/grant/nih/10756808. Licensed CC0.

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