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Fukui Function and Local Softness Related to the Regioselectivity of Electrophilic Addition Reactions 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2018, 卷号: 34, 期号: 5, 页码: 519-527
Authors:  Zhu Zunwei;  Yang Qiaofeng;  Xu Zhenzhen;  Zhao Dongxia;  Fan Hongjun;  Yang Zhongzhi
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Fukui Function  Local Softness  Local Hard-soft And Acids-bases (Hsab) Principle  Electrophilic Addition Reactions  Finite Difference Approximation  Abeem Sigma Pi Model  
A salt-bridge switch in the molecular recognition between RS receptor and RGD ligand from the ABEEM sigma pi molecular dynamics simulations 期刊论文
MOLECULAR SIMULATION, 2017, 卷号: 43, 期号: 13-16, 页码: 1045-1055
Authors:  Zhang, Chao;  Zhao, Dong-Xia;  Wang, Qian;  Yu, Ling;  Li, Guo-Hui;  Yang, Zhong-Zhi
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Molecular Dynamics  Flexible Recognition  Polarisation Signal  Water-bridge  Binding Free Energy  
Some polarisable force fields for molecular dynamics simulations of lipids, and bilayers 期刊论文
MOLECULAR SIMULATION, 2016, 卷号: 42, 期号: 10, 页码: 820-826
Authors:  Guo, Wei;  Cheng, Liwei;  Chu, Huiying;  Cao, Liaoran;  Zhang, Depeng;  Liu, Jiahui;  Xu, Peijun;  Zheng, Xuefang;  Li, Guohui
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Polarisable Force Field  Electrostatic Interaction  
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
Authors:  Xu, Peijun;  Wang, Jinguang;  Xu, Yong;  Chu, Huiying;  Liu, Jiahui;  Zhao, Meixia;  Zhang, Depeng;  Mao, Yingchen;  Li, Beibei;  Ding, Yang;  Li, Guohui;  Wei, D;  Xu, Q;  Zhao, T;  Dai, H
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Polarizable Force Field  Amoeba  Fluctuating Charge Model  Induced Point Dipole Model  Molecular Modeling  
Modeling the Low Frequency Vibrational Spectroscopy of the Ionic Solutions 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2014, 期号: 1, 页码: 24826
Authors:  Zhang RT(张睿挺);  Pan ZJ(潘志君);  Zhuang W(庄巍)
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Chapter 9 Simulating the Peptide Folding Kinetic Related Spectra Based on the Markov State Model 期刊论文
Advances in Experimental Medicine and Biology, 2014, 卷号: 805, 期号: 1, 页码: 199
Authors:  Song J(宋建);  Zhuang W(庄巍)
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Morphology-dependent nanocatalysts: Rod-shaped oxides 期刊论文
CHEMICAL SOCIETY REVIEWS, 2014, 卷号: 43, 期号: 5, 页码: 1543-1574
Authors:  Li, Yong;  Shen, Wenjie;  Shen WJ(申文杰)
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Chapter 8 NANOGLOBULAR MACROCYCLIC GD(III) CHELATE CONJUGATES AS MAGNETIC RESONANCE IMAGING CONTRAST AGENTS 期刊论文
Dendrimers: Synthesis, Applications and Role in Nanotechnology, 2013, 页码: 197
Authors:  Tan MQ(谭明乾);  Song XJ(宋小杰);  Zheng-Rong Lu;  Wu (无)
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A Comprehensive Differential Proteomic Study of Nitrate Deprivation in Arabidopsis Reveals Complex Regulatory Networks of Plant Nitrogen Responses 期刊论文
JOURNAL OF PROTEOME RESEARCH, 2012, 卷号: 11, 期号: 4, 页码: 2301-2315
Authors:  Wang, Xu;  Bian, Yangyang;  Cheng, Kai;  Zou, Hanfa;  Sun, Samuel Sai-Ming;  He, Jun-Xian;  Zou HF(邹汉法);  SamuelSaiMingSun;  JunXianHe
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Proteomics  Phosphoproteomics  Nitrogen (n)  Nitrate  n Signaling  n Use Efficiency  Arabidopsis Thaliana  
Frequency Distribution of the Amide-I Vibration Sorted by Residues in Amyloid Fibrils Revealed by 2D-IR Measurements and Simulations 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2012, 卷号: 116, 期号: 10, 页码: 3322-3330
Authors:  Falvo, Cyril;  Zhuang, Wei;  Kim, Yung Sam;  Axelsen, Paul H.;  Hochstrasser, Robin M.;  Mukamel, Shaul;  CyrilFalvo
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