Graph convolutional neural networks improved target-specific scoring functions for cGAS and kRAS in virtual screening

In the drug discovery process, traditional structure-based virtual screening methods, such as molecular docking, are often limited by empirical scoring functions. Recent studies have demonstrated that target-specific scoring functions developed using machine learning approaches can enhance the accur...

Descripción completa

Detalles Bibliográficos

Autores principales:	Bo Wang, Muhammad Junaid, Wenjin Li
Formato:	Artigo
Lenguaje:	Inglês
Publicado:	Elsevier 2025-01-01
Colección:	Computational and Structural Biotechnology Journal
Materias:	Graph convolutional neural networks Virtual screening Scoring function CGAS KRAS
Acceso en línea:	http://www.sciencedirect.com/science/article/pii/S2001037025001886
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!