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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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Andrea Volkamer

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Open access Sep 2026

Data driven selection of consensus docking pipelines for structure based hit identification

Structure-based virtual screening (SBVS) is a cornerstone of computer-aided drug design, yet its success depends on selecting a combination of docking tools, scoring function (SF), and ranking strategies. MolDockLab addresses this challenge with an automated, data-driven framework that optimizes SBVS workflows for a pr...

Hamza Agha, Y. Ibrahim, Michael Backenköhler et al. · 0 citations

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