Structure-based drug design with equivariant diffusion models
Most Cited Paper
in Computational Drug Discovery Methods
18 Months Post-Publication
Class of 2026
“Structure-based drug design with equivariant diffusion models”
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pri.pepkio.com/top-papers/computational-drug-discovery-methods/2026/
Topics
Structure-based drug design · Equivariant diffusion models · Equivariant diffusion models · 3D conditional generation · DiffSBDD · De novo molecular design · Protein pocket conditioning · De novo molecular design · property optimization · negative design · molecular inpainting · Binding affinity prediction · Protein-ligand complexes · pretrained diffusion model · constraint-based generation
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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