# Multiscale Simulation of HIV-1 Virion Release and Maturation

> **NIH NIH R01** · UNIVERSITY OF CHICAGO · 2024 · $526,895

## Abstract

PROJECT SUMMARY
Certain key processes in the HIV-1 viral lifecycle are still poorly or incompletely understood. These processes
include the release of the virion from infected cells, the virion maturation, and the genome packaging within the
virion as it matures. These processes are highly complex, involving sequential multiprotein and nucleic acid
assembly and disassembly, as well as protein-mediated membrane interactions. Computationally simulating
these processes thus requires the use of both all-atom (AA) and coarse-grained (CG) molecular dynamics (MD)
methods in an innovative multiscale fashion in order to access the relevant spatial and temporal scales. The
Voth group will develop and carry out both AA and CG simulations to study the large viral protein complexes
relevant to these important problems in the HIV-1 life cycle. The specific processes to be studied are involved
in the viral release and maturation processes, specifically the proteolytic cleavage of Gag and capsid assembly
within the virion (Aim 1), the virion component reorganization and ribonucleoprotein complex condensation upon
maturation (Aim 2), and the latter stage dynamics of virion release from infected cells (Aim 3). The computational
model development and multiscale simulation efforts will be integrated and iterated with the experimental studies
of two leading experimental investigators (John Briggs and Hans-Georg Kräusslich) and one independently
funded collaborator (James Hurley). These novel and powerful multiscale computer simulations – and the
collaborative effort with experimentalists – will provide new insight into the dynamical aspects of HIV-1 release
and maturation which are not readily accessible to the experimental (or computational) efforts alone.

## Key facts

- **NIH application ID:** 10885201
- **Project number:** 5R01AI178850-02
- **Recipient organization:** UNIVERSITY OF CHICAGO
- **Principal Investigator:** Gregory A. Voth
- **Activity code:** R01 (R01, R21, SBIR, etc.)
- **Funding institute:** NIH
- **Fiscal year:** 2024
- **Award amount:** $526,895
- **Award type:** 5
- **Project period:** 2023-07-10 → 2028-06-30

## Primary source

NIH RePORTER: https://reporter.nih.gov/project-details/10885201

## Citation

> US National Institutes of Health, RePORTER application 10885201, Multiscale Simulation of HIV-1 Virion Release and Maturation (5R01AI178850-02). Retrieved via AI Analytics 2026-05-22 from https://api.ai-analytics.org/grant/nih/10885201. Licensed CC0.

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