MetalProGNet: a structure-based deep graph model for metalloprotein–ligand interaction predictions

Metalloproteins play indispensable roles in various biological processes ranging from reaction catalysis to free radical scavenging, and they are also pertinent to numerous pathologies including cancer, HIV infection, neurodegeneration, and inflammation. Discovery of high-affinity ligands for metall...

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Detalles Bibliográficos
Autores principales: Jiang, Dejun, Ye, Zhaofeng, Hsieh, Chang-Yu, Yang, Ziyi, Zhang, Xujun, Kang, Yu, Du, Hongyan, Wu, Zhenxing, Wang, Jike, Zeng, Yundian, Zhang, Haotian, Wang, Xiaorui, Wang, Mingyang, Yao, Xiaojun, Zhang, Shengyu, Wu, Jian, Hou, Tingjun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9945430/
https://www.ncbi.nlm.nih.gov/pubmed/36845922
http://dx.doi.org/10.1039/d2sc06576b

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