Journal of chemical information and modeling
Metadynamics Simulation Reveals Allosteric Communication Effects of the Flipping Process of the Atypical DLG Motif in RIPK1.
Bo Liu, Likun Zhao, Lingling Wang, Xiaoqing Gong, Xiaojun Yao, Huanxiang Liu, Qianqian Zhang
Published: 202610.1021/acs.jcim.5c02584
Abstract
Kinases are key molecules in cell signal transduction. Their abnormal activation is closely related to cancer, inflammation, and metabolic diseases, making them important drug targets. However, the high sequence conservation of the kinase family limi…
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