Video Experimental Relacionado

Updated: Feb 6, 2026

Covalent Fragment Screening Using the Quantitative Irreversible Tethering Assay
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Covalent Fragment Screening Using the Quantitative Irreversible Tethering Assay

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Revelación de los límites del acoplamiento covalente y avance en la predicción de afinidad con aprendizaje multitarea

Jiayang Leng1,2, Zhixuan Huang1,2, Lei Zheng3,4

  • 1Department of Biomedical Engineering, Southern University of Science and Technology, Shenzhen, Guangdong, China.

Physical chemistry chemical physics : PCCP
|February 4, 2026
PubMed
Resumen

Las herramientas computacionales para inhibidores covalentes dirigidos (TCI) están subdesarrolladas. Este estudio presenta un nuevo marco, CovMTL-DTA, que mejora significativamente la predicción de la afinidad fármaco-diana y la priorización de aciertos para los TCI.

Palabras clave:
inhibidores covalentes dirigidospredicción de afinidad fármaco-dianaaprendizaje multitareaacoplamiento moleculardescubrimiento de fármacos

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