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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

L. D. Herrera-Zúñiga

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Open access Jul 2026

Molecular Dynamics and Electron Density Topology Reveal Ligand-Specific Interaction Patterns at the Dopamine D2 Receptor

The interaction patterns identified in this study highlight characteristic interaction motifs associated with ligand-specific pharmacological profiles and provide mechanistic insights that may support the rational design of novel dopaminergic therapeutics.

Gerardo Padilla-Bernal, L. D. Herrera-Zúñiga, Rubicelia Vargas · 0 citations
Open access Jul 2026

SMASH: Screening Molecules Accurately on Small Hardware. Fast, user-friendly, enhanced with a machine learning virtual screening tool

SMASH is presented, which features several upgrades: it predicts binding sites using machine learning, automatically determines titration states, utilizes a Graphics Process Unit for molecular docking, combines machine learning with energy scoring functions, and clusters data using the K-means algorithm.

A. Suárez-Alonso, L. D. Herrera-Zúñiga, Mayra Lozano-Espinosa et al. · 0 citations

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