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Sponsored Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt

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Bernhard Knapp

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#diffusion models Open access Sep 2026

Beyond the Top-Ranked Pose: Validity, Ranking Depth and Cost in Blind Docking

Learned and search-based docking are often compared on the top-ranked pose alone. On 303 benchmark complexes, each ligand was docked against its whole receptor with three configured pipelines, namely AutoDock Vina with gnina rescoring (AutoDock), the diffusion model DiffDock-L with smina optimisation (DiffDock) and Equ...

Dominik Mann, Bernhard Knapp, Heinrich Krobath et al. · 0 citations

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