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
