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Insights into the Impact of Linker Flexibility and Fragment Ionization on the Design of CK2 Allosteric Inhibitors: Comparative Molecular Dynamics Simulation Studies

Protein kinase is a novel therapeutic target for human diseases. The off-target and side effects of ATP-competitive inhibitors preclude them from the clinically relevant drugs. The compounds targeting the druggable allosteric sites outside the highly conversed ATP binding pocket have been identified...

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Detalles Bibliográficos
Autores principales:	Zhou, Yue, Zhang, Na, Qi, Xiaoqian, Tang, Shan, Sun, Guohui, Zhao, Lijiao, Zhong, Rugang, Peng, Yongzhen
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5796060/ https://www.ncbi.nlm.nih.gov/pubmed/29301250 http://dx.doi.org/10.3390/ijms19010111

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