Binding Free Energy Calculation Based on the Fragment Molecular Orbital Method and Its Application in Designing Novel SHP-2 Allosteric Inhibitors.

Autor: Yuan, Zhen1 (AUTHOR) y12212121@mail.ecust.edu.cn, Chen, Xingyu1 (AUTHOR) y30211246@mail.ecust.edu.cn, Fan, Sisi1 (AUTHOR) y30201249@mail.ecust.edu.cn, Chang, Longfeng1 (AUTHOR) zhjzhao@ecust.edu.cn, Chu, Linna1 (AUTHOR), Zhang, Ying1 (AUTHOR), Wang, Jie1 (AUTHOR), Li, Shuang1 (AUTHOR), Xie, Jinxin1 (AUTHOR), Hu, Jianguo1 (AUTHOR), Miao, Runyu1 (AUTHOR), Zhu, Lili1 (AUTHOR), Zhao, Zhenjiang1 (AUTHOR), Li, Honglin1,2,3 (AUTHOR) hlli@ecust.edu.cn, Li, Shiliang1,2 (AUTHOR) hlli@ecust.edu.cn
Zdroj: International Journal of Molecular Sciences. Jan2024, Vol. 25 Issue 1, p671. 24p.
Databáze: Academic Search Ultimate
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