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Updated: Jul 6, 2026

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source
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SMASH: Screening Molecules Accurately on Small Hardware. Fast, user-friendly, enhanced with a machine learning

Alfredo Suárez-Alonso1, Leonardo D Herrera-Zúñiga2,3, Mayra Lozano-Espinosa4

  • 1Laboratorio de Farmacología, Departamento de Ciencias de La Salud, Universidad Autónoma Metropolitana-Iztapalapa, Ciudad de México, México.

Journal of Molecular Modeling
|July 4, 2026
PubMed
Summary

No abstract available in PubMed .

Keywords:
Drug discoveryGPU computingMachine learningMolecular dockingOpen-source softwareVirtual screening

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