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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

Author

C. Hetényi

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Open access Aug 2026

Robust Ligand Docking into Challenging Hydrated Binding Pockets

HydroDock is extended to challenging targets with open binding pockets, populated by highly mobile water molecules that are the most troublesome for drug design, and improved docking accuracy with increases of 28% (10%) in median structural (and ranking) performance.

Bayar Bayarsaikhan, C. Hetényi, B. Z. Zsidó · 0 citations

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