姓 名

牛余珍

性 别

女

民 族

汉

政治面貌

中共党员

学历/学位

博士/博士研究生

职 称

讲师

职 务

办公电话

邮箱

niuyzh12@lzu.edu.cn

主要研究方向

计算机辅助药物分子设计

教学情况

1.讲授课程

2.教学成果及奖励

科研情况

代表性论文

(1). Niu, Y.; Shi, D.; Li, L.; Guo, J.; Liu, H.; Yao, X., Revealing inhibition difference between PFI-2 enantiomers against SETD7 by molecular dynamics simulations, binding free energy calculations and unbinding pathway analysis. Sci. Rep. 2017, 7, 46547.

(2). Niu, Y.; Li, S.; Pan, D.; Liu, H.; Yao, X., Computational study on the unbinding pathways of B-RAF inhibitors and its implication for the difference of residence time: insight from random acceleration and steered molecular dynamics simulations. Phys. Chem. Chem. Phys. 2016, 18 (7), 5622-9.

(3). Niu, Y.; Pan, D.; Yang, Y.; Liu, H.; Yao, X., Revealing the molecular mechanism of different residence times of ERK2 inhibitors via binding free energy calculation and unbinding pathway analysis. Chemom.Intell. Lab. Sys. 2016, 158, 91-101.

(4). Niu, Y.; Pan, D.; Shi, D.; Bai, Q.; Liu, H.; Yao, X., Influence of Chirality of Crizotinib on Its MTH1 Protein Inhibitory Activity: Insight from Molecular Dynamics Simulations and Binding Free Energy Calculations. PloS one 2015, 10 (12), e**.

社会兼职

荣誉称号

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