| [1] | WENG Meiqi, SHANG Guiming, WANG Jiatai, LI Shenghua, FAN Zhi, LIN Song, GUO Minjie. 
														
															Template Simulation of Organophosphorus Nerve Agent Molecularly Imprinted Polymers
														[J]. Chem. J. Chinese Universities, 2022, 43(8): 20220136. | 
																																																																																
													| [2] | GAO Zhiwei, LI Junwei, SHI Sai, FU Qiang, JIA Junru, AN Hailong. 
														
															Analysis of Gating Characteristics of TRPM8 Channel Based on Molecular Dynamics
														[J]. Chem. J. Chinese Universities, 2022, 43(6): 20220080. | 
																																																																																
													| [3] | HU Bo, ZHU Haochen. 
														
															Dielectric Constant of Confined Water in a Bilayer Graphene Oxide Nanosystem
														[J]. Chem. J. Chinese Universities, 2022, 43(2): 20210614. | 
																																																																																
													| [4] | ZHANG Mi, TIAN Yafeng, GAO Keli, HOU Hua, WANG Baoshan. 
														
															Molecular Dynamics Simulation of the Physicochemical Properties of Trifluoromethanesulfonyl Fluoride Dielectrics
														[J]. Chem. J. Chinese Universities, 2022, 43(11): 20220424. | 
																																																																																
													| [5] | ZHOU Chengsi, ZHAO Yuanjin, HAN Meichen, YANG Xia, LIU Chenguang, HE Aihua. 
														
															Regulation of Silanes as External Electron Donors on Propylene/butene Sequential Polymerization
														[J]. Chem. J. Chinese Universities, 2022, 43(10): 20220290. | 
																																																																																
													| [6] | LI Congcong, LIU Minghao, HAN Jiarui, ZHU Jingxuan, HAN Weiwei, LI Wannan. 
														
															Theoretical Study of the Catalytic Activity of VmoLac Non-specific Substrates Based on Molecular Dynamics Simulations
														[J]. Chem. J. Chinese Universities, 2021, 42(8): 2518. | 
																																																																																
													| [7] | LEI Xiaotong, JIN Yiqing, MENG Xuanyu. 
														
															Prediction of the Binding Site of PIP2 in the TREK-1 Channel Based on Molecular Modeling
														[J]. Chem. J. Chinese Universities, 2021, 42(8): 2550. | 
																																																																																
													| [8] | ZENG Yonghui, YAN Tianying. 
														
															Vibrational Density of States Analysis of Proton Hydration Structure
														[J]. Chem. J. Chinese Universities, 2021, 42(6): 1855. | 
																																																																																
													| [9] | LIU Aiqing, XU Wensheng, XU Xiaolei, CHEN Jizhong, AN Lijia. 
														
															Molecular Dynamics Simulation of Polymer/rod Nanocomposite
														[J]. Chem. J. Chinese Universities, 2021, 42(3): 875. | 
																																																																																
													| [10] | FAN Juanjuan, HAN Yuanyuan, CUI Jie. 
														
															Monte Carlo Simulation of the Transformation Control of ABC Triblock Copolymer Micelles from Multicompartment Structure to Multicore Structure
														[J]. Chem. J. Chinese Universities, 2021, 42(3): 857. | 
																																																																																
													| [11] | QI Renrui, LI Minghao, CHANG Hao, FU Xueqi, GAO Bo, HAN Weiwei, HAN Lu, LI Wannan. 
														
															Theoretical Study on the Unbinding Pathway of Xanthine Oxidase Inhibitors Based on Steered Molecular Dynamics Simulation
														[J]. Chem. J. Chinese Universities, 2021, 42(3): 758. | 
																																																																																
													| [12] | YE Chenghao, LIANG Heng, LI Enmin, XU Liyan, LI Peng, CHEN Guanghui. 
														
															High-throughput Virtual Screening of CDK2/Cyclin A2 Target Inhibitors
														[J]. Chem. J. Chinese Universities, 2021, 42(10): 3135. | 
																																																																																
													| [13] | LI Xiangyuan,YAO Xiaoxia,SHENTU Jiangtao,SUN Xiaohui,LI Juanqin,LIU Mingxia,XU Shimin. 
														
															Combustion Reaction Mechanism Construction by Two-parameter Rate Constant Method 
														[J]. Chem. J. Chinese Universities, 2020, 41(3): 512. | 
																																																																																
													| [14] | WANG Xiaoxia, MA Litong, NIE Zhihua, WANG Zhengde, CUI Jinlong, ZHAO Wenyuan, SAI Huazheng. 
														
															Interaction Between Fulvic Acid and Pepsin Investigated by Multispectral and Molecular Docking Simulation †
														[J]. Chem. J. Chinese Universities, 2019, 40(9): 1840. | 
																																																																																
													| [15] | CHENG Xiankun, HOU Xue, TIAN Huan, ZHANG Menglong, WEI Hao, ZHAO Zhuo. 
														
															Synthesis of Macrocyclic Thiacrown Ethers and Their Selective Extraction for Ag(Ⅰ) and Tl(Ⅰ) †
														[J]. Chem. J. Chinese Universities, 2019, 40(9): 1881. |