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Drug–target affinity prediction using graph neural network and contact maps

Computer-aided drug design uses high-performance computers to simulate the tasks in drug design, which is a promising research area. Drug–target affinity (DTA) prediction is the most important step of computer-aided drug design, which could speed up drug development and reduce resource consumption....

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Detalles Bibliográficos
Autores principales:	Jiang, Mingjian, Li, Zhen, Zhang, Shugang, Wang, Shuang, Wang, Xiaofeng, Yuan, Qing, Wei, Zhiqiang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2020
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9054320/ https://www.ncbi.nlm.nih.gov/pubmed/35517730 http://dx.doi.org/10.1039/d0ra02297g

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