Dr. Ke received his master degree in drug discovery from the School of Pharmacy, University of London, in 2010. Prior to his doctoral study, he served as visiting research associate (6 months) at Queen’s University Belfast in 2011. During this visit, he developed interests in molecular dynamics simulations on membrane proteins, especially ion channels. He then obtained his Ph.D. degree from University of Vienna in 2015 titled with “Selectivity and conduction studies in bacterial voltage-gated sodium channels by molecular dynamics simulations”. In May 2015, he joined Institute of Natural Sciences at Shanghai Jiao Tong University.
- Long time and multi-scale molecular dynamics simulations of ion channels
- Free energy calculations of ion channel involved biological and physiological processes
- R.A. Pumroy, S. Ke, D.J. Hart, U. Zachariae, G. Cingolani, Molecular Determinants for Nuclear Import of Influenza A PB2 by Importin α Isoforms 3 and 7, Structure. 23 (2015) 374–384. doi:10.1016/j.str.2014.11.015.
- S. Ke, E.N. Timin, A. Stary-Weinzinger, Different Inward and Outward Conduction Mechanisms in NaVMs Suggested by Molecular Dynamics Simulations, PLoS Comput Biol. 10 (2014) e1003746. doi:10.1371/journal.pcbi.1003746.
- P. Lukacs, V.S. Gawali, R. Cervenka, S. Ke, X. Koenig, L. Rubi, et al., Exploring the structure of the voltage-gated Na+ channel by an engineered drug access pathway to the receptor site for local anesthetics, J. Biol. Chem. 289 (2014) 21770–21781. doi:10.1074/jbc.M113.541763.
- S. Ke, E.-M. Zangerl, A. Stary-Weinzinger, Distinct interactions of Na+ and Ca2+ ions with the selectivity filter of the bacterial sodium channel NaVAb, Biochemical and Biophysical Research Communications. 430 (2013) 1272–1276. doi:10.1016/j.bbrc.2012.12.055.
- S. Erić, S. Ke, T. Barata, T. Solmajer, J. Antić Stanković, Z. Juranić, et al., Target fishing and docking studies of the novel derivatives of aryl-aminopyridines with potential anticancer activity, Bioorg. Med. Chem. 20 (2012) 5220–5228. doi:10.1016/j.bmc.2012.06.051.