Structure · dataset · 2026
Topology-Aware Modeling of the Full Genome Reveals Stability Determinants in a Small Naked Virus
Listed in UP Research Data Repository
Understanding how viral genomes are organized under extreme spatial confinement remains a fundamental challenge in structural virology.
Description
Icosahedral viruses, despite offering high-resolution capsid structures through cryo-electron microscopy and X-ray crystallography, present a major obstacle: their genomes do not obey icosahedral symmetry and are thus averaged out during standard reconstruction procedures, leaving genome topology largely unresolved.
Computational modeling offers a complementary avenue, but existing approaches often rely on simplified polymer representations that fail to capture sequence-specific features and the extreme compaction observed in small DNA viruses. Here, we focus on Porcine Circovirus type 2 (PCV2), a member of the <i>Circoviridae</i> family and one of the smallest autonomous mammalian viruses, which packages a circular ∼1.7 kb single-stranded DNA genome into a ∼20 nm T = 1 icosahedral capsid at one of the highest DNA packing densities found in nature.
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We introduce an integrative methodology combining AI-based structural prediction, lattice Monte Carlo simulations, and multiscale molecular dynamics to generate and simulate three-dimensional topological models of the complete virions. Our results demonstrate that distinct genome arrangements can produce virions with experimentally indistinguishable external morphologies, yet differ substantially in their internal energies and predicted particle stability.
These findings suggest that circovirus populations comprise structurally similar but energetically heterogeneous assemblies, with implications for infectivity, uncoating, and environmental persistence, while providing a generalizable framework for modeling genome topology in other confined viral systems.
Links
Where it is published
- DOI doi.org/10.1021/acs.jcim.6c01934.s001 ↗
DOI / persistent id · from researchdata up ac za
Catalogue records · 1
- OAI-PMH record api.figshare.com/v2/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Af… ↗
metadata API · from researchdata up ac za
Topics
- From keywords
- Bioinformatics and computational biology · Cancer · Earth & Environmental Science · Ecology · Engineering · Evolutionary biology · Genetics · Humanities · Infectious diseases · Life Sciences · Materials Science · Medicine & Health · Physics · Social Science · Virology
- Inferred from text
- Microscopy 75%
Related
- Possibly the same asTopology-Aware Modeling of the Full Genome Reveals Stability Determinants in a Small Naked Virus
- Possibly the same asTopology-Aware Modeling of the Full Genome Reveals Stability Determinants in a Small Naked Virus
- Possibly the same asTopology-Aware Modeling of the Full Genome Reveals Stability Determinants in a Small Naked Virus
- Possibly the same asTopology-Aware Modeling of the Full Genome Reveals Stability Determinants in a Small Naked Virus
Provenance · 1 source records, 21 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| UP Research Data Repository | oai:figshare.com:article/34060021 | 7 d ago | JSON v1 |
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| concepts[field].anzsrc:field:310706 | mapping · researchdata up ac za | vocabulary-mapper@1.0.0 | keywords['Virology'] |
| concepts[field].anzsrc:field:320211 | mapping · researchdata up ac za | vocabulary-mapper@1.0.0 | keywords['Infectious Diseases'] |
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| title | source · researchdata up ac za | connector:researchdata_up_ac_za@1.0.0 | /metadata/dc/title |