An artificial intelligence accelerated virtual screening platform for drug discovery
Most Cited Paper
in Computational Drug Discovery Methods
18 Months Post-Publication
Class of 2026
“An artificial intelligence accelerated virtual screening platform for drug discovery”
A research intelligence initiative by Pepkio
pri.pepkio.com/top-papers/computational-drug-discovery-methods/2026/
Topics
RosettaVS · Virtual screening · Molecular docking · Binding affinity prediction · Receptor flexibility · Compound libraries · KLHDC2 · ubiquitin ligase · Nav1.7 · Nav1.7 · Molecular docking · Artificial intelligence in drug discovery · micromolar binding affinities · X-ray crystallography · Hit identification · lead discovery · Open-source framework
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Pepkio Research Index (PRI). Topics and Trends in Most Cited Computational Drug Discovery Methods Papers, Class of 2026. https://pri.pepkio.com/top-papers/computational-drug-discovery-methods/2026. Accessed 2026-07-22. Zheng Su, Tinsley Li, Thematic Shifts in Early-High-Impact Cancer Genomics and Diagnostics Research: A Bibliometric and Semantic Analysis. bioRxiv 2026.07.04.736459; doi: https://doi.org/10.64898/2026.07.04.736459