会议专题

第七届国际分子模拟与信息技术应用学术会议

总文献量: 163篇会议类型: 国内会议会议地点: 苏州主办单位: 中国化学会计算(机)化学专业委员会;中国科学院上海药物研究所;苏州大学会议日期: 2014-10-26

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Leucine-rich Repeat 11 of Toll-like Receptor 9 Can Tightly Bind to CpG-containing Oligodeoxynucleotides, and the Positively Charged Residues Are Critical for the High Affinity

Xichun Pan Chong Wu Jiang Zheng Hong Zhou Junjie Yue Guofu Ding Bin Li Xin Liu Xinchuan Zheng Mengchen Yu Jun Li Weiwei Jiang

First-principle Studies of the Stability, Electronic and Elastic Properties of Trigonal-type M2N (M =Cr, V, Nb and Ta)1

Ran Yu Yehua Jiang Rong Zhou

Study on the structure of aqueous potassium chloride solutions using the X-ray diffraction and Raman spectroscopy methods

Li Fei Yuan Junsheng Li Dongchan Li Shenyu Han Zhen

The role of aromatic L-amino acid decarboxylase in bacillamide C biosynthesis by Bacillus atrophaeus C89

Lei Yuwen Feng-Li Zhang Qi-Hua Chen Shuang-Jun Lin Yi-Lei Zhao Zhi-Yong Li

Crystal structure of a mono-and diacylglycerol lipase from Malassezia globosa reveals a novel lid conformation and insights into the substrate specificity

Tingting Xu Lu Liu Shulin Hou Jinxin Xu Bo Yang Yonghua Wang Jinsong Liu

Realizing Semiconductor-Half-Metal Transition in Zigzag Graphene Nanoribbons Supported on Hybrid Fluorographene-Graphane Nanoribbons

Shaobin Tang Xinrui Cao

Fragment Based Drug Design of Novel Pyrazine Derivates Inhibiting Mesenchymal Epithelial Transition Factor (c-MET) Kinase

Xin Xue

浓度对Fe掺杂TiO2的影响的第一性原理研究

冯华杰孙振范陈六平杨丽梅雷炳新李高楠

多尺度研究重油沥青质的聚集结构

任强周涵代振宇赵晓光赵毅王丽新

呋喃π桥对聚合物共平面性和有机场效应晶体管性能的影响

袁建宇臧亚平董慧龙刘国均狄崇安李有勇马万里

Affinity maturation of antiHER2 monoclonal antibody MIL5 using an epitope-specific synthetic phage library by computational design

Chunxia Qiao Ming Lv Xinying Li Jing Geng Yan Li Jiyan Zhang Zhou Lin Jiannan Feng Beifen Shen

Glucose-Promoted Localization Dynamics of Excess Electrons in Aqueous Glucose Solution Revealed by Ab Initio Molecular Dynamics Simulation

Jinxiang Liu Robert I.Cukier Yuxiang Bu Yuan Shang

Potent anti-angiogenesis and anti-tumor activity of a novel human anti-VEGF antibody, MIL60

Jing Yang Ming Lv Jiannan Feng Qun Wang Chunxia Qiao Zhou Lin Xinying Li Yifei Huang Tingting Zhou Yan Li Beifen Shen

Synthesis, biological evaluation and molecular docking of oxime ether acylhydrazone derivatives as influenza neuraminidase inhibitors

Mengwu Xiao Jiao Ye Beibei Li Aixi Hu Ailin Liu

Surface Plasmon Resonances Behavior in Visible Light of Non-metal Perovskite Oxides AgNbO3

Fei Zhou Jingchuan Zhu Yong Liu Xiaoliang Zhao Zhonghong Lai

First principles study the stability, mechanical and electronic properties of manganese carbides1

XiaoYu Chong YeHua Jiang Rong Zhou Jing Feng

Enhancement of Br(o)nsted acidity in zeolitic catalysts due to an intermolecular solvent effect in confined micropores

Anmin Zheng Bing Han Bojie Li Shang-Bin Liu Feng Deng

对N,N”-azobis-polynitrodiazoles结构和性能的理论研究

景梅李华荣王军舒远杰张晓宇马卿黄毅刚

Effects of aluminum diffusion on the adhesive behavior of the Ni(111)/Cr2O3(0001) interface: First principle study

Liu Hui Li Yuping Zhang Caili Dong Nan Lan Aidong Li HongFei Dong Hongbiao Han Peide

Drug Repurposing Based on Drug-Drug Interaction

Bin Zhou Rong Wang Ping Wu De-Xin Kong