The study relies exclusively on computational molecular docking and dynamics simulations without experimental validation through in vitro or in vivo antiviral efficacy assays.

The gap

Consensus across the literature

Supporting evidence — 4 representative gaps

• Innovative Approaches in Drug Discovery by Leveraging Molecular Ecology for the Identification of Novel Therapeutics (2026) · doi

  Molecular docking simulations were conducted on 318 metabolites with mean binding affinity of -7.5 kcal/mol, but experimental validation of these predicted binding affinities is not reported.

  Keywords: binding molecular docking simulations conducted metabolites mean affinity kcal experimental validation predicted affinities reported
• Cell signaling and systems biology (2020) · doi

  The paper mentions that homology-based docking methods are becoming viable as structural data grows, but does not specify benchmark datasets, accuracy thresholds, or validation protocols needed to reliably predict novel protein-protein interactions in structural systems biology when template structures are incomplete or distantly related.

  Keywords: homology-based docking protein-protein interactions structural data validation benchmark accuracy
• Synthesis of ultra-low density nanosilica with extended Si-O-Si molecular network for Cr(VI) ions capture integrating monoazoic dye-surface interactions by molecular docking study (2026) · doi

  The molecular docking studies are theoretical and derived from visual analysis using Discovery Studio software, lacking experimental validation of the predicted binding interactions and conformations.

  Keywords: molecular docking theoretical derived visual using discovery studio software lacking experimental validation predicted binding interactions
• Assessment of FDA-Approved Antiviral Drugs Indicated for Different Viral Infections Against Crimean-Congo Hemorrhagic Fever Virus: Molecular Docking and Molecular Dynamics Simulations (2026) · doi

  The study relies exclusively on computational molecular docking and dynamics simulations without experimental validation through in vitro or in vivo antiviral efficacy assays.

  Keywords: relies exclusively computational molecular docking dynamics simulations without experimental validation vitro vivo antiviral efficacy assays