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浏览/检索结果: 共9条，第1-9条 帮助 限定条件 专题：大连化学物理研究所    第一署名单位    第一作者单位    通讯作者单位    发表日期：2015     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 Theoretical study of iron acyl complexes modeling the active site of [Fe]-hydrogenase: Solvation effects play a significant role 期刊论文 computational and theoretical chemistry, 2015, 卷号: 1064, 页码: 45-50 作者:  Li, Chaozheng;  Fu, Zhiqiang;  Zhang, Xiaoqian;  Liu, Yufang;  Wang, Yong 收藏  |  浏览/下载：19/0  |  提交时间：2015/11/17 Density functional theoretical calculation  Solvation effects  Iron  Transition state  Exothermic process   A Mechanism-Based Model for the Prediction of the Metabolic Sites of Steroids Mediated by Cytochrome P450 3A4 期刊论文 international journal of molecular sciences, 2015, 卷号: 16, 期号: 7, 页码: 14677-14694 作者:  Dai, Zi-Ru;  Ai, Chun-Zhi;  Ge, Guang-Bo;  He, Yu-Qi;  Wu, Jing-Jing 收藏  |  浏览/下载：26/0  |  提交时间：2015/11/17 CYP3A4  steroids  metabolic site  mechanism-based prediction  activation energy   Development of the Wade equation for the description of elution peak profile by using second-order rate equations for the sorption kinetics 期刊论文 chemical engineering research & design, 2015, 卷号: 96, 页码: 15-22 作者:  Hao, Weiqiang;  Di, Bin;  Chen, Qiang;  Wang, Junde;  Yang, Yongbing 收藏  |  浏览/下载：17/0  |  提交时间：2015/11/17 Nonlinear liquid chromatography  Linear chromatography  The Wade equation  Langmuir kinetics   Diethylstilbestrol can effectively accelerate estradiol-17-O-glucuronidation, while potently inhibiting estradiol-3-O-glucuronidation 期刊论文 toxicology and applied pharmacology, 2015, 卷号: 283, 期号: 2, 页码: 109-116 作者:  Zhu, Liangliang;  Xiao, Ling;  Xia, Yangliu;  Zhou, Kun;  Wang, Huili 收藏  |  浏览/下载：33/0  |  提交时间：2015/11/17 Diethylstilbestrol  UGT1A1  UGT1A4  Estradiol glucuronidation   Advancement of Polarizable Force Field and Its Use for Molecular Modeling and Design 期刊论文 advance in structural bioinformatics, 2015, 卷号: 827, 页码: 19-32 作者:  Xu, Peijun;  Wang, Jinguang;  Xu, Yong;  Chu, Huiying;  Liu, Jiahui 收藏  |  浏览/下载：28/0  |  提交时间：2015/11/17 Polarizable force field  AMOEBA  Fluctuating charge model  Induced point dipole model  Molecular modeling   Folding Mechanisms of Trefoil Knot Proteins Studied by Molecular Dynamics Simulations and Go-model 期刊论文 advance in structural bioinformatics, 2015, 卷号: 827, 页码: 93-110 作者:  Wu, Xue;  Xu, Peijun;  Wang, Jinguang;  Xu, Yong;  Fu, Ting 收藏  |  浏览/下载：40/0  |  提交时间：2015/11/17 Trefoil  Knot  High-temperature unfolding  Go-model  Fold   Polyethyleneimine-modified graphene oxide nanocomposites for effective protein functionalization 期刊论文 nanoscale, 2015, 卷号: 7, 期号: 34, 页码: 14284-14291 作者:  Weng, Yejing;  Jiang, Bo;  Yang, Kaiguang;  Sui, Zhigang;  Zhang, Lihua 收藏  |  浏览/下载：14/0  |  提交时间：2015/11/16 Computational discovery and experimental verification of tyrosine kinase inhibitor pazopanib for the reversal of memory and cognitive deficits in rat model neurodegeneration 期刊论文 chemical science, 2015, 卷号: 6, 期号: 5, 页码: 2812-2821 作者:  Yang, Yongliang;  Li, Guohui;  Zhao, Dongyu;  Yu, Haoyang;  Zheng, Xiliang 收藏  |  浏览/下载：32/0  |  提交时间：2015/11/17 Theoretical Studies on the Folding Mechanisms for Different DNA G-quadruplexes 期刊论文 advance in structural bioinformatics, 2015, 卷号: 827, 页码: 123-141 作者:  Wu, Xue;  Xu, Peijun;  Wang, Jinguang;  Xu, Yong;  Fu, Ting 收藏  |  浏览/下载：27/0  |  提交时间：2015/11/17 G-quadruplex  Go-model  Fold