ArticleScience advances2021
Atomistic dynamics of a viral infection process: Release of membrane lytic peptides from a non-enveloped virus.
Article in Science advances, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
What it found
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Who cites it
8 citing papers in PubMed, 8 citations in OpenAlex.
- Structure-based simulations of the full Flock House virus capsid reveal pathways and energetics of infection-critical peptide externalization.Biophysical journal · 2026Article
- Ordered release of genomic RNA during icosahedral virus disassembly.Journal of virology · 2026Article
- The molecular mechanisms of visual chromophore release from cellular retinaldehyde-binding protein.Structure (London, England : 1993) · 2025Article
- The Protein Encoded by the UL3.5 Gene of the Duck Plague Virus Affects Viral Secondary Envelopment, Release, and Cell-to-Cell Spread.Veterinary sciences · 2025Article
- pyCapsid: identifying dominant dynamics and quasi-rigid mechanical units in protein shells.Bioinformatics (Oxford, England) · 2024Article
- Non-equilibrium virus particle dynamics: Microsecond MD simulations of the complete Flock House virus capsid under different conditions.Journal of structural biology · 2023Article
- Molecular dynamics of the viral life cycle: progress and prospects.Current opinion in virology · 2021Review
- Repurposing Cardiac Glycosides: Drugs for Heart Failure Surmounting Viruses.Molecules (Basel, Switzerland) · 2021Review
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Authors and funding
2 authors at 1 institution in 1 country.
Funding
Abstract
Molecular simulations have played an instrumental role in uncovering the structural dynamics and physical properties of virus capsids. In this work, we move beyond equilibrium physicochemical characterization of a virus system to study a stage of the infection process that is required for viral proliferation. Despite many biochemical and functional studies, the molecular mechanism of host cell entry by non-enveloped viruses remains largely unresolved. Flock House virus (FHV) is a model system for non-enveloped viruses and is the subject of the current study. FHV infects through the acid-dependent endocytic pathway, where low pH triggers externalization of membrane-disrupting (γ) peptides from the capsid interior. Using all-atom equilibrium and enhanced sampling simulations, the mechanism and energetics of γ peptide liberation and the effect of pH on this process are investigated. Our computations agree with experimental findings and reveal nanoscopic details regarding the pH control mechanism, which are not readily accessible in experiments.
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Registered trials
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