ReviewCurrent opinion in structural biology2025
Atomistic simulations of intact virus capsids: A computational challenge worth the scientific payoff.
Review in Current opinion in structural biology, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
7 citing papers in PubMed.
- Atomic resolution structure of human papillomavirus bound to heparin.Nature communications · 2026Article
- Structure-based simulations of the full Flock House virus capsid reveal pathways and energetics of infection-critical peptide externalization.Biophysical journal · 2026Article
- Many paths, similar destinations: viruses and bacterial microcompartments form polyhedra inside cells.Journal of virology · 2026Review
- Mechanistic insights into CAM-induced disruption of HBV capsids revealed by all-atom MD simulations.PLoS pathogens · 2026Article
- Transient Occupancy and Pore Dynamics: IP6 Behavior in HIV-1The journal of physical chemistry. B · 2026Article
- Computational biophysical characterization of a superradiant virus-like particle in its ground state.bioRxiv : the preprint server for biology · 2025Article
- Mechanistic insights into CAM-induced disruption of HBV capsids revealed by all-atom MD simulations.bioRxiv : the preprint server for biology · 2025Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
Abstract
All-atom molecular dynamics (MD) simulations of intact virus capsids provide unparalleled insights into the functional motions of these complex macromolecular assemblies. Despite the computational challenges of simulating multimillion-atom systems, these simulations uniquely reveal the structural basis for emergent properties, including collective motions, allostery, selective permeability, and mechanical responses that are inaccessible through experimental methods. Capsid simulations also drive technological advancements in MD methodologies, analysis tools, and multiscale modeling, fostering broader innovations in structural biology and biophysics. Given next-generation computational resources, MD simulations will continue to illuminate virus biology, support antiviral drug discovery, and enhance preparedness for emerging viral diseases. Here, atomistic simulations of complete capsid assemblies are reviewed, and their role in elucidating fundamental principles of virus function and therapeutic targeting is discussed. Altogether, MD of intact capsids is a computational challenge worth the payoff.
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What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.