宋珂 博士

发布者:冯明静发布时间:2019-11-14浏览次数:92

  宋珂 博士

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:

2016 – 至今 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