Ke Song, Ph.D.

publisher:宋张悦publishTime:2019-11-14Views:91

  Ke Song, Ph.D.

Engineer, Biomedical Big Data Platform

Research Interest: Quantum Chemistry, Molecular Dynamics, Computer Aided Drug Design, Machine Learning, Data Mining.

Email: songk@@shanghaitech.edu.cn

Biography:

2016 - 2021 Engineer, Biomedical Big Data Platform, Shanghai Institute for Advanced Immunochemical Studies (SIAIS), ShanghaiTech University

2012 - 2015 Post-Doctoral research, Chemistry Department, Fudan University

2005 - 2012 Ph.D. in Computational and Theoretical Chemistry, Shandong University

2000 - 2004 B.Sc. in Chemistry, Shandong University

Publication:

[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