Binding Free Energy Calculation Based on the Fragment Molecular Orbital Method and Its Application in Designing Novel SHP-2 Allosteric Inhibitors
基于片段分子轨道法的结合自由能计算及其在新型SHP-2变构抑制剂设计中的应用
期刊:International Journal of Molecular Sciences
影响因子:4.9
doi:10.3390/ijms25010671
Yuan, Zhen; Chen, Xingyu; Fan, Sisi; Chang, Longfeng; Chu, Linna; Zhang, Ying; Wang, Jie; Li, Shuang; Xie, Jinxin; Hu, Jianguo; Miao, Runyu; Zhu, Lili; Zhao, Zhenjiang; Li, Honglin; Li, Shiliang