# Computation & Chemistry Core

> **NIH NIH U54** · SEATTLE CHILDREN'S HOSPITAL · 2022 · $796,074

## Abstract

ABSTRACT, CORE 1
Core 1 (Voth and Forli, Leads) will provide an extensive and integrated computational capability in support of the
science of the B-HIVE Projects. Many processes in HIV-1 that involve proteins, nucleic acids, and/or membranes
are inherently multiscale, spanning multiple time and length scales, which vary from the molecular to nanoscopic
to mesoscopic. Therefore, in Aim 1 bottom-up multiscale computational methods will be developed and
implemented that characterize many-protein assembly processes in the HIV-1 lifecycle. To understand in greater
detail the specific physical mechanisms which drive macromolecular interactions of HIV proteins with host factors
and nucleic acids, in Aim 2 all-atom molecular dynamics simulations, together with protein-protein docking and
kinetic modeling, will be used to build models of HIV proteins interacting with their partners. In order to support
the B-HIVE Projects through computational structure-based pipelines and tools for the analysis of targets of
interest, Aim 3 will provide well-established computational tools and methods that will also be further developed
and extended. All three Aims complement one another and each Aim will provide important input to the other
two Aims in an integrated fashion. Overall, Core 1 will extend and develop a set of powerful computational tools
in support of the B-HIVE Projects. The Core will also provide valuable new resources for the overall HIV research
community and beyond.
1

## Key facts

- **NIH application ID:** 10508446
- **Project number:** 1U54AI170855-01
- **Recipient organization:** SEATTLE CHILDREN'S HOSPITAL
- **Principal Investigator:** Gregory A. Voth
- **Activity code:** U54 (R01, R21, SBIR, etc.)
- **Funding institute:** NIH
- **Fiscal year:** 2022
- **Award amount:** $796,074
- **Award type:** 1
- **Project period:** 2022-06-22 → 2027-03-31

## Primary source

NIH RePORTER: https://reporter.nih.gov/project-details/10508446

## Citation

> US National Institutes of Health, RePORTER application 10508446, Computation & Chemistry Core (1U54AI170855-01). Retrieved via AI Analytics 2026-05-24 from https://api.ai-analytics.org/grant/nih/10508446. Licensed CC0.

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