袁永娜

  • 政治面貌

    中共党员

  • 职称

    副教授、硕士生导师

  • 职务

  • 所在系所

    计算机系统结构所

  • 邮箱

    yuanyn@lzu.edu.cn

  • 办公地址

    飞云楼409

学习经历

  2009.02-2012.12,英国曼彻斯特大学,化学学院,博士,导师:Paul Popelier
  2005.09-2010.06,必赢nn699net,化学化工学院,博士(硕博连读),导师:张瑞生
  2001.09-2005.06,河北师范大学,化学与材料科学学院,学士

工作经历

  2022-01 至 今, 必赢nn699net, 必赢nn699net, 副教授
  2010-09 至 2021-12, 必赢nn699net, 必赢nn699net, 讲师

教学情况

  主讲本科生课程:《机器学习》,《C语言程序设计》,《数据分析和可视化》
  主讲研究生课程:《软件体系结构》,《论文写作指导与专业外语》

指导研究生情况

  独立指导10名硕士研究生,和张瑞生教授共同指导6名硕士研究生,3名博士研究生

研究方向

  机器学习,AI+药物分子设计,计算机和化学/生物学等交叉学科

招生专业

  计算机科学与技术
  电子信息
  化学/生物学等相关专业

项目成果

目前主持在研项目:

国家自然科学基金面上项目1项(项目号:22373043);

国家自然科学基金面上项目1项(项目号:81973786);

主持参与完成的项目:

国家自然科学基金青年项目1项(项目号:21503101);

留学回国人员科技活动项目1项(项目号:教外司留[2015]311号);

甘肃省自然科学基金项目2项(项目号:1506RJZA223,20JR10RA613);

中央高校基本科研业务费专项资金项目3项。

发表论文及专著

发表SCI/EI论文30余篇,近5年主要SCI/EI论文:

[1] Yongna Yuan*, Yuhao Zhang, Xiangbo Meng, Zhenyu Liu, Bohan Wang, Ruidong Miao, Ruisheng Zhang, Wei Su, and Lei Liu, EDC-DTI: An end-to-end deep collaborative learning model based on multiple information for drug-target interactions prediction, Journal of Molecular Graphics and Modelling, 2023, 122, 108498-108508

[2] Yongna Yuan*; Haoqiu Yan; Zeyang Cui; Zhenyu Liu; Wei Su; Ruisheng Zhang ; Quantum chemical calculations with machine learning for multipolar electrostatics prediction in RNA: an application to pentose, Journal of Chemical Information and Modeling, 2022, 62, 4122-4133.

[3] Yongna Yuan*, Shaowei Fu, Dongxu Huo, Wei Su, Ruisheng Zhang, and Jiaxuan Wei, Multipole electrostatics for hairpin and pseudoknots in RNA: Improving the accuracy of force field potential energy function, J. Comput. Chem., 2021, 42, 1-16.

[4] Yongna Yuan*, Matthew J.L. Mills, Zhuangzhuang Zhang, Yan Ma, Chunyan Zhao, and Wei Su, A general RNA force field: comprehensive analysis of energy minima of molecular fragments of RNA, J. Mol. Model., 2021, 27, 137-153.

[5] Yongna Yuan; Xinhe Liu; Tingting Liu; Wencheng Liu; Yu Zhu; Haixia Zhang; Chunyan Zhao;Molecular dynamics exploring of atmosphere components interacting with lung surfactant phospholipid bilayers, Science of the Total Environment, 2020, 743: 140547-140554.

[6] Yongna Yuan*, Yan Ma, Dongxu Huo, Matthew J.L. Mills, Jiaxuan Wei, Wei Su, and Ruisheng Zhang*, Multipolar Description of atom-atom electrostatic interaction energies in single/double-stranded DNAs, J. Phys. Chem. B., 2020, 124, 10089-10103.

[7] Yongna Yuan*, Matthew J.L. Mills, Fuyang Li, Yuhong Du, Jiaxuan Wei, and Wei Su, Halogen bonds and other noncovalent interactions in the crystal structures of trans-1,2-diiodo alkenes: an ab initio and QTAIM study, J. Mol. Model., 2020, 26, 331-341.

[8] Yongna Yuan*,Zhuangzhuang Zhang,Matthew J.L. Mills,Rongjing Hu, and Ruisheng Zhang, Assessing force filed potential energy function accuracy via a multipolar description of atomic electrostatic interactions in RNA. J. Chem. Inf. Model. 2018, 58, 2239-2254.

[9] Xiaoliang Fan, Lei Guo, Ning Han, Yujie Wang, Jia Shi, Yongna Yuan*, A deep learning approach for next location prediction. The 2018 IEEE 22nd International Conference on Computer Supported Cooperative Work in Design, 2018.05.09-05.11.

[10] Yabing Yao, Ruisheng Zhang, Fan Yang, Yongna Yuan, and Rongjing Hu, Link prediction in complex networks based on the interactions among paths, Physica, 2018, 510, 52-67.

对外合作

1. Manchester University

2.3M Corporate Research Analytical Laboratory, Saint Paul, Minnesota 55114, United States.

荣誉获奖

社会工作

2013.09 -2017.06担任2013级本科生班主任

2018.09 - 2022.06 担任2018级基地班班主任

2022.09 – 至今 担任2022级基地班班主任

其他信息

欢迎计算机、化学和生物学等专业,对机器学习、AI+药物设计、AI+蛋白质分子模拟感兴趣的本科生(推免生)加入,如有意愿请邮件联系。

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