Article
Peptide probes derived from pertuzumab by molecular dynamics modeling for HER2 positive tumor imaging.
PLoS computational biology - 1 Apr 2017
Yang Xiaoliang, Wang Zihua, Xiang Zhichu, Li Dan, Hu Zhiyuan, Cui Wei, Geng Lingling, Fang Qiaojun
Abstract excerpt
A high level of HER2 expression in breast cancer correlates with a higher tumor growth rate, high metastatic potential, and a poor long-term patient survival rate. Pertuzumab, a human monoclonal antibody, can reduce the effect of HER2 overexpression by preventing HER2 dimerization. In this study, a combination protocol of molecular dynamics modeling and MM/GBSA binding free energy calculations was applied to...
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