生物医学大数据平台，工程师
主要研究方向：量子化学、分子动力学、计算机辅助药物设计、机器学习、数据挖掘
Email: songk@@shanghaitech.edu.cn
个人经历：
2021 – 至今 上海深势唯思科技有限责任公司，CADD科学家
2016 – 2021 上海科技大学，免疫化学研究所，生物医学大数据平台，工程师
2012 – 2015 复旦大学，化学系博士后
2005 – 2012 山东大学，计算与理论化学博士
2000 – 2004 山东大学，化学学士
发表论文：
[1] Structure and Molecular Dynamics Simulations of Protein Tyrosine Phosphatase Non-Receptor 12 Provide Insights into the Catalytic Mechanism of the Enzyme.
Dong, H.#, Zonta, F., Wang, S., Song, K., He, X., He, M., Nie, Y.#, Li, S.# (2018).
International Journal of Molecular Sciences 2018, 19(1), 60.
[2] A comparative theoretical study of the catalytic activities of Au2- and AuAg- dimers for CO oxidation
Peng Liu, Ke Song, Dongju Zhang*, Chengbu Liu* (co-author)
Journal of Molecular Modeling 2012, 18, 1809-1818
[3] DFT study of the interactions of 2-chlorophenol/2-chlorophenoxy radical with the (6,0) single-walled ZnO nanotubes with and without an oxygen vacancy
Ke Song, Dongju Zhang*, Chengbu Liu*
Computational and Theoretical Chemistry 2011, 978, 98-103
[4] Microscopic wetting of self-assembled monolayers with different surfaces: A combined molecular dynamics and quantum mechanics study
Zhen Xu, Ke Song, Shi-Ling Yuan*, and Chengbu Liu* (co-author)
Langmuir 2011, 27, 8611-8620
