Molecular Docking, Molecular Dynamics Simulations, and Free Energy Calculation Insights into the Binding Mechanism between VS-4718 and Focal Adhesion Kinase

[Image: see text] Focal adhesion kinase (FAK) is a 125 kDa nonreceptor tyrosine kinase that plays an important role in many carcinomas. Thus, the targeting of FAK by small molecules is considered to be promising for cancer therapy. Some FAK inhibitors have been reported as potential anticancer drugs...

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Detalles Bibliográficos
Autores principales: Shi, Mingsong, Chen, Tao, Wei, Siping, Zhao, Chenyu, Zhang, Xinyu, Li, Xinghui, Tang, Xinyi, Liu, Yan, Yang, Zhuang, Chen, Lijuan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9476166/
https://www.ncbi.nlm.nih.gov/pubmed/36119979
http://dx.doi.org/10.1021/acsomega.2c03951

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9476166/
https://www.ncbi.nlm.nih.gov/pubmed/36119979
http://dx.doi.org/10.1021/acsomega.2c03951

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