个人简历

2016/07 -至今 中国药科大学，基础医学与临床药学学院，转化医学中心\r
2014/09 - 2015/06美国佛罗里达大学化学系，访问学者\r
2011/09 - 2016/06华东师范大学，精密光谱科学与技术国家重点实验室，博士研究生\r
2007/09 - 2011/06山东师范大学，物理与电子科学学院，物理系本科

研究领域

"""""1)蛋白-蛋白、蛋白-配体相互作用的微观机制研究，以及计算机辅助药物设计新方法的发展与应用。\r
2)低标度算法的发展及在生物大分子、凝聚相体系中的应用研究。"

近期论文

Jinfeng Liu, Jason Swails, John Z. H. Zhang, Xiao He*, Adrian E. Roitberg*, A Coupled Ionization-Conformational Equilibrium Is Required To Understand the Properties of Ionizable Residues in the Hydrophobic Interior of Staphylococcal Nuclease, J. Am. Chem. Soc., 2018, 140, 1639–1648. (IF: 14.695)\r
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Jinfeng Liu#, Xiao He#, John Z. H. Zhang, Lianwen Qi*, Hydrogen-bond structure dynamics in bulk water: insights from ab initio simulations with coupled cluster theory, Chem. Sci., 2018, 9, 2065-2073. (IF: 9.556)\r
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Jinfeng Liu, Lianwen Qi*, John Z. H. Zhang, Xiao He*, Fragment quantum mechanical method for large-sized ion-water clusters, J. Chem. Theory Comput., 2017, 13, 2021-2034. (IF: 5.399)\r
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Jinfeng Liu, Tong Zhu*, Xianwei Wang, Xiao He*, John Z. H. Zhang*, Quantum Fragment Based ab Initio Molecular Dynamics for Proteins. J. Chem. Theory Comput., 2015, 11, 5897-5905. (IF: 5.399)\r
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Qiangna Lu#, Xiao He#, Wenxin Hu, Xijing Chen*, Jinfeng Liu*, Stability, Vibrations, and Diffusion of Hydrogen Gas in Clathrate Hydrates: Insights from Ab Initio Calculations on Condensed-Phase Crystalline Structures, J. Phys. Chem. C, 2019, 123, 12052−12061. (IF: 4.309)