DOI: 10.1039/d3cp02795c ISSN:
Study on the allosteric activation mechanism of SHP2 via elastic network models and neural relational inference molecular dynamics simulation
Ling Liu, Yan Cheng, Zhigang Zhang, Jing Li, Yichao Geng, Qingsong Li, Daxian Luo, Li Liang, Wei Liu, Jianping Hu, Weiwei Ouyang- Physical and Theoretical Chemistry
- General Physics and Astronomy
Above, the open-state protein of SHP2(SHP2*) was constructed from SHP1, and the allosteric process of SHP2 was investigated by coarse-graining and NRI-MD modeling.