Home

Citation: Jian Wan, Yanliang Ren, Li Rao, Lin Wei, Yongjian Li, Yang Deng, Xianggao Meng, Hong Yuan. 蛋白–配体复合物的结构及其相互作用分子机制的虚拟仿真实验项目的建设与教学实践——COVID-19肺炎疫情防控时期线上教学的案例[J]. University Chemistry, ;2021, 36(1): 200306. doi: 10.3866/PKU.DXHX202003066 shu

蛋白–配体复合物的结构及其相互作用分子机制的虚拟仿真实验项目的建设与教学实践——COVID-19肺炎疫情防控时期线上教学的案例

National Experimental Chemistry Teaching Center, College of Chemistry, Central China Normal University, Wuhan 430079, China

Corresponding author: Jian Wan, Jianwan@mail.ccnu.edu.cn
Received Date: 19 March 2020

宏观世界和微观世界的尺度鸿沟使得人类无法用肉眼直接观察到微观结构，但化学研究者又必须基于微观结构解释物质的宏观性质，因此借助X射线衍射等仪器对微观结构进行表征是认识微观世界的重要手段。然而这些科学仪器普遍使用成本高昂、操作门槛高，且存在辐射污染的风险。这也成为了本科生学习和理解微观结构的最大障碍。我们本着“能实不虚、虚为实用、虚实结合”的建设理念，综合运用“数字化3D虚拟现实”等现代信息化技术，将微观世界中的蛋白–配体复合物的晶体学研究、蛋白–配体结合构象的理论精准预测的最新成果，与“结构化学课程群”中的基本理论知识有机结合、重组再造、由浅入深地合理设计、二次开发、转化为本虚拟仿真实验项目，旨在构建一个“有图有真相”的三维、立体、直观的蛋白–配体结构及其相互作用的研讨空间，引导学生进一步掌握化学学科的理论基础，培养学生的化学学科思维、学科表达及应用的能力与素养。
- Virtual-reality experimental project,
- Structural chemistry curriculum group,
- 3D virtual reality,
- Protein-ligand complexes,
- Crystal structure,
- Interactional mechanism
1. [1]
2. [2]
3. [3]
  Wei, L.; Chi, B.; Ren, Y.; Rao, L.; Wu, J.; Shang, H.; Liu, J.; Xiao, Y.; Ma, M.; Xu, X.; et al. J. Chem. Theory Comput. 2019, 15, 4264.
4. [4]
  Rao, L.; Chi, B.; Ren, Y.; Li, Y.; Xu, X.; Wan, J. J. Comput. Chem. 2016, 37, 336.
5. [5]
  Kendrew, J. C.; Bodo, G.; Dintzis, H. M.; Parrish, R. G.; Wyckoff, H.; Phillips. D. C. Nature 1958, 181, 662.
6. [6]
  Barnes, N. C. Pharmacol. Res. 1995, 31, 9.
7. [7]
1. [1]
  Haitang WANG , Yanni LING , Xiaqing MA , Yuxin CHEN , Rui ZHANG , Keyi WANG , Ying ZHANG , Wenmin WANG . Construction, crystal structures, and biological activities of two Ln^Ⅲ₃ complexes. Chinese Journal of Inorganic Chemistry, 2024, 40(8): 1474-1482. doi: 10.11862/CJIC.20240188
2. [2]
  Changqing MIAO , Fengjiao CHEN , Wenyu LI , Shujie WEI , Yuqing YAO , Keyi WANG , Ni WANG , Xiaoyan XIN , Ming FANG . Crystal structures, DNA action, and antibacterial activities of three tetranuclear lanthanide-based complexes. Chinese Journal of Inorganic Chemistry, 2024, 40(12): 2455-2465. doi: 10.11862/CJIC.20240192
3. [3]
  Jing WU , Puzhen HUI , Huilin ZHENG , Pingchuan YUAN , Chunfei WANG , Hui WANG , Xiaoxia GU . Synthesis, crystal structures, and antitumor activities of transition metal complexes incorporating a naphthol-aldehyde Schiff base ligand. Chinese Journal of Inorganic Chemistry, 2024, 40(12): 2422-2428. doi: 10.11862/CJIC.20240278
4. [4]
  Wenyan Dan , Weijie Li , Xiaogang Wang . The Technical Analysis of Visual Software ShelXle for Refinement of Small Molecular Crystal Structure. University Chemistry, 2024, 39(3): 63-69. doi: 10.3866/PKU.DXHX202302060
5. [5]
  Xinting XIONG , Zhiqiang XIONG , Panlei XIAO , Xuliang NIE , Xiuying SONG , Xiuguang YI . Synthesis, crystal structures, Hirshfeld surface analysis, and antifungal activity of two complexes Na(Ⅰ)/Cd(Ⅱ) assembled by 5-bromo-2-hydroxybenzoic acid ligands. Chinese Journal of Inorganic Chemistry, 2024, 40(9): 1661-1670. doi: 10.11862/CJIC.20240145
6. [6]
  Yan Liu , Yuexiang Zhu , Luhua Lai . Introduction to Blended and Small-Class Teaching in Structural Chemistry: Exploring the Structure and Properties of Crystals. University Chemistry, 2024, 39(3): 1-4. doi: 10.3866/PKU.DXHX202306084
7. [7]
  Weina Wang , Fengyi Liu , Wenliang Wang . “Extracting Commonality, Delving into Typicals, Deriving Individuality”: Constructing a Knowledge Graph of Crystal Structures. University Chemistry, 2024, 39(3): 36-42. doi: 10.3866/PKU.DXHX202308029
8. [8]
  Junqiao Zhuo , Xinchen Huang , Qi Wang . Symbol Representation of the Packing-Filling Model of the Crystal Structure and Its Application. University Chemistry, 2024, 39(3): 70-77. doi: 10.3866/PKU.DXHX202311100
9. [9]
  Yingchun ZHANG , Yiwei SHI , Ruijie YANG , Xin WANG , Zhiguo SONG , Min WANG . Dual ligands manganese complexes based on benzene sulfonic acid and 2, 2′-bipyridine: Structure and catalytic properties and mechanism in Mannich reaction. Chinese Journal of Inorganic Chemistry, 2024, 40(8): 1501-1510. doi: 10.11862/CJIC.20240078
10. [10]
  Jingjing QING , Fan HE , Zhihui LIU , Shuaipeng HOU , Ya LIU , Yifan JIANG , Mengting TAN , Lifang HE , Fuxing ZHANG , Xiaoming ZHU . Synthesis, structure, and anticancer activity of two complexes of dimethylglyoxime organotin. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1301-1308. doi: 10.11862/CJIC.20240003
11. [11]
  Xiaoling LUO , Pintian ZOU , Xiaoyan WANG , Zheng LIU , Xiangfei KONG , Qun TANG , Sheng WANG . Synthesis, crystal structures, and properties of lanthanide metal-organic frameworks based on 2, 5-dibromoterephthalic acid ligand. Chinese Journal of Inorganic Chemistry, 2024, 40(6): 1143-1150. doi: 10.11862/CJIC.20230271
12. [12]
  Xin MA , Ya SUN , Na SUN , Qian KANG , Jiajia ZHANG , Ruitao ZHU , Xiaoli GAO . A Tb₂ complex based on polydentate Schiff base: Crystal structure, fluorescence properties, and biological activity. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1347-1356. doi: 10.11862/CJIC.20230357
13. [13]
  Jinfeng Chu , Lan Jin , Yu-Fei Song . Exploration and Practice of Flipped Classroom in Inorganic Chemistry Experiment: a Case Study on the Preparation of Inorganic Crystalline Compounds. University Chemistry, 2024, 39(2): 248-254. doi: 10.3866/PKU.DXHX202308016
14. [14]
  Xiaowei TANG , Shiquan XIAO , Jingwen SUN , Yu ZHU , Xiaoting CHEN , Haiyan ZHANG . A zinc complex for the detection of anthrax biomarker. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1850-1860. doi: 10.11862/CJIC.20240173
15. [15]
  Linjie ZHU , Xufeng LIU . Electrocatalytic hydrogen evolution performance of tetra-iron complexes with bridging diphosphine ligands. Chinese Journal of Inorganic Chemistry, 2025, 41(2): 321-328. doi: 10.11862/CJIC.20240207
16. [16]
  Pingping Zhu , Yongjun Xie , Yuanping Yi , Yu Huang , Qiang Zhou , Shiyan Xiao , Haiyang Yang , Pingsheng He . Excavation and Extraction of Ideological and Political Elements for the Virtual Simulation Experiments at Molecular Level: Taking the Project “the Simulation and Computation of Conformation, Morphology and Dimensions of Polymer Chains” as an Example. University Chemistry, 2024, 39(2): 83-88. doi: 10.3866/PKU.DXHX202309063
17. [17]
  Dongxue Han , Huiliang Sun , Li Niu . Virtual Reality Technology for Safe and Green University Chemistry Experimental Education. University Chemistry, 2024, 39(8): 191-196. doi: 10.3866/PKU.DXHX202312055
18. [18]
  Hui Liu , Shupeng Zhang , Yuntian Zhang , Wei Dong , Yuji Liu , Bingxin Deng , Dongping Chen , Yongxing Tang . Research on the Application of Virtual Reality (VR) Technology in the Teaching of Organic Chemistry. University Chemistry, 2024, 39(8): 64-71. doi: 10.3866/PKU.DXHX202312028
19. [19]
  Tianlong Zhang , Jiajun Zhou , Hongsheng Tang , Xiaohui Ning , Yan Li , Hua Li . Virtual Simulation Experiment for Laser-Induced Breakdown Spectroscopy (LIBS) Analysis. University Chemistry, 2024, 39(6): 295-302. doi: 10.3866/PKU.DXHX202312049
20. [20]
  Liyang ZHANG , Dongdong YANG , Ning LI , Yuanyu YANG , Qi MA . Crystal structures, luminescent properties and Hirshfeld surface analyses of three cadmium(Ⅱ) complexes based on 2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)benzoate. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1943-1952. doi: 10.11862/CJIC.20240079

Get Citation

PDF

XML

Metrics

PDF Downloads(3)
Abstract views(188)
HTML views(7)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

Address：Zhongguancun North First Street 2,100190 Beijing, PR China Tel: +86-010-82449177-888

DownLoad: Full-Size Img PowerPoint

Return