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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

H. Nikoofard

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Sep 2026

Accelerating HDAC8 inhibitor discovery through deep learning, cheminformatics, docking, and molecular dynamics simulations.

Histone deacetylase 8 (HDAC8) is an emerging epigenetic target implicated in cancer, neurodegenerative disorders, and other human diseases, driving the urgent need for potent and selective inhibitors. In this study, we developed and validated a deep learning-based computational pipeline for the accurate prediction of H...

M. Sargolzaei, H. Nikoofard · 0 citations
Aug 2026

An integrated deep learning and molecular dynamics pipeline for the discovery of novel CDK8 inhibitors against acute myeloid leukaemia.

An integrated computational pipeline combining neural network-based potency prediction with molecular dynamics simulations for CDK8 inhibitor discovery was developed and novel molecular structures beyond the training distribution were generated.

B. Awad, M. Sargolzaei, H. Nikoofard · 0 citations

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