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浏览/检索结果: 共10条，第1-10条 帮助 限定条件 专题：山东大学    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Catalytic Mechanism for 2,3-Dihydroxybiphenyl Ring Cleavage by Nonheme Extradiol Dioxygenases BphC: Insights from QM/MM Analysis 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 卷号: 123, 期号: 10, 页码: 2244-2253 作者:  Wang, Junjie;  Chen, Jinfeng;  Tang, Xiaowen;  Li, Yanwei;  Zhang, Ruiming 收藏  |  浏览/下载：15/0  |  提交时间：2019/12/11 Biodegradation mechanism of polyesters by hydrolase from Rhodopseudomonas palustris: An in silico approach 期刊论文 CHEMOSPHERE, 2019, 卷号: 231, 页码: 126-133 作者:  Wang, Xiaodan;  Chen, Jinfeng;  Tang, Xiaowen;  Wang, Junjie;  Zhu, Ledong 收藏  |  浏览/下载：5/0  |  提交时间：2019/12/11 Quantum mechanics/molecular mechanics  Polyester  Enzymatic  transformation  MM-PBSA   Computational evidence for the degradation mechanism of haloalkane dehalogenase LinB and mutants of Leu248 to 1-chlorobutane 期刊论文 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 31, 页码: 20540-20547 作者:  Wang, Junjie;  Tang, Xiaowen;  Li, Yanwei;  Zhang, Ruiming;  Zhu, Ledong 收藏  |  浏览/下载：10/0  |  提交时间：2019/12/11 QM/MM study of the reaction mechanism of Cl-cis,cis-muconate with muconate lactonizing enzyme 期刊论文 BIOORGANIC CHEMISTRY, 2018, 卷号: 80, 页码: 453-460 作者:  Zhu, Ledong;  Tang, Xiaowen;  Li, Yanwei;  Zhang, Ruiming;  Wang, Junjie 收藏  |  浏览/下载：5/0  |  提交时间：2019/12/11 Enolase family  Muconate lactonizing enzymes  Quantum  mechanics/molecular mechanics  Cl-cis,cis-muconate  Chlorobenzene   The growth mechanism of polycyclic aromatic hydrocarbons from the reactions of anthracene and phenanthrene with cyclopentadienyl and indenyl 期刊论文 CHEMOSPHERE, 2017, 卷号: 189, 页码: 265-276 作者:  Zhu, Ledong;  Shi, Xiangli;  Sun, Yanhui;  Zhang, Qingzhu;  Wang, Wenxing 收藏  |  浏览/下载：5/0  |  提交时间：2019/12/12 PAH growth mechanism  Formation reactions  Anthracene  Phenanthrene  Cyclopentadienyl  Indenyl   Atmospheric Oxidation Mechanism and Kinetic Studies for OH and NO3 Radical-Initiated Reaction of Methyl Methacrylate 期刊论文 International Journal of Molecular Sciences, 2014, 期号: 3, 页码: 5032-5044 作者:  Gao Rui;  Zhu Ledong;  Zhang Qingzhu;  Wang Wenxing 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/17 atmospheric oxidation  methyl methacrylate  rate constants  reaction mechanism   Reaction pathway for reactivation and aging of paraoxon-inhibited-acetylcholinesterase: A QM/MM study 期刊论文 Computational & theoretical chemistry, 2014, 页码: 44-50 作者:  Xiaowen Tang;  Ledong Zhu;  Jianmin Chen;  Jingtian Hu;  Qingzhu Zhang 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/17 Paraoxon  Reactivation mechanism  Aging mechanism  QM/MM calculation   Adsorption of Bisphenol A to a Carbon Nanotube Reduced Its Endocrine Disrupting Effect in Mice Male Offspring 期刊论文 INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2014, 卷号: 15, 期号: 9, 页码: 15981-15993 作者:  Wang, Wenwei;  Jiang, Cuijuan;  Zhu, Ledong;  Liang, Nana;  Liu, Xuejiao 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/17 carbon nanotubes (CNTs)  Bisphenol A (BPA)  contaminants adsorption  environmental endocrine disrupting effect  reproductive toxicity   Reaction pathway for reactivation and aging of paraoxon-inhibited-acetylcholinesterase: A QM/MM study 期刊论文 COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2014, 卷号: 1035, 页码: 44-50 作者:  Tang, Xiaowen;  Zhu, Ledong;  Chen, Jianmin;  Hu, Jingtian;  Zhang, Qingzhu 收藏  |  浏览/下载：12/0  |  提交时间：2019/12/17 Paraoxon  Reactivation mechanism  Aging mechanism  QM/MM calculation   Adsorption of Bisphenol A to a Carbon Nanotube Reduced Its Endocrine Disrupting Effect in Mice Male Offspring 期刊论文 International Journal of Molecular Sciences, 2014, 期号: 9, 页码: 15981-15993 作者:  Wang Wenwei;  Jiang Cuijuan;  Zhu Ledong;  Liang Nana;  Liu Xuejiao 收藏  |  浏览/下载：5/0  |  提交时间：2019/12/17 carbon nanotubes (CNTs)  Bisphenol A (BPA)  contaminants adsorption  environmental endocrine disrupting effect  reproductive toxicity