会议专题

第四届国际分子模拟与信息技术应用学术会议(The 4th International Conference of Molecular Simulations and Applied Informatics Technologies)

总文献量: 128篇会议类型: 国际会议会议地点: 广州主办单位: 中国化学会;华南师范大学会议日期: 2008-11-01

文章浏览

Studies on the synthesis of neamine-dinucleosides and neamine-PNA conjugates and their interaction with RNA

Hui Mei Lei Xing Li Cai Hong-Wei Jin Peng Zhao Zhen-Jun Yang Liang-Ren Zhang Li-He Zhang

Stable M2AlC(0001) surfaces (M = Ti, V and Cr) by first-principles investigation

Jiemin Wang Jingyang Wang Yanchun Zhou

Treatment of hepatocellular carcinoma in a mouse zenograft model with an immunotozin which is engineered to eliminate vascular leak syndrome

Hao Wang Jian Zhao Yajun Guo Shuichuan Song Geng Kou Bohua Li Dapeng Zhang Sheng Hou Weizhu Qian Jianxin Dai Liang Tian

DFT Study of methanol adsorption and dissociation in different kinds of solution

Qi Xueqiang Li Li Zhang Yi Xia Meirong Ma xingli Wei Zidong

Re-engineering cytochrome P450 2B 11 dH for enhanced metabolism of several substrates including the anti-cancer prodrugs cyclophosphamide and ifosfamide

Ling Sun Chong S.Chen David J.Waxman Hong Liu James R.Halpert Santosh Kumar

Probing ligand binding modes of human cytochrome P45O SJS by homology modeling, molecular dynamics simulation,and flezible molecular docking

Weihua Li Yun Tang Hong Liu Jiagao Cheng Weiliang Zhu Hualiang Jiang

Drug discovery based on the structure of FKBP12:Design, synthesis and evaluation of L-1,4-thiazane-3-carbozylic acid derivatives as neuroimmunophilin ligands

NIE AiHua XIAO JunHai WANG LiLi LIAO Guo Chao LIU Hong Ying REN Shen LI Song

Molecular mechanism for the effects of trehalose on β-hairpin folding revealed by molecular dynamics simulation

Fu-Feng Liu Xiao-Yan Dong Yan Sun

Study on plasticizing mechanism of polymer electrolytes by Quantum chemistry

Ma Nan Xie Man Wu Feng Chen Ren-Jie Li Li

Size-Dependent Deformation and Adsorption Behavior of Carbon Monozide, Hydrogen, and Carbon on Pyramidal Copper Clusters

W.Liu Y.H.Zhao E.J.Lavernia Q.Jiang

Theoretical Hardness of the cubic BC2N

Xiaoju Guo Zhongyuan Liu Xiaoguang Luo Dongli Yu Julong He Yongjun Tian Jian Sun Hui-Tian Wang

Computational modeling and functional analysis of Herpes simplez virus type-1 thymidine kinase and Escherichia coli cytosine deaminase fusion protein

Jufeng Zhang Zhanli Wang Fang Wei Wei Qiu Liangren Zhang Qian Huang

Structured to reduce the mitogenicity of anti-CD3 antibody based on computer-guided molecular design

Ming Lv Jiannan Feng Beifen Shen Yan Li Ming Yu Yingxun Sun Zhou Lin Chunxia Qiao Qun Luo Xin Gu Ying Huang

(3S)-N-(L-Aminoacyl)-1,2,3,4-tetrahydroisoquinoIines, a class of novel antithrombotic agents: Synthesis, bioassay, 3D QSAR, and ADME analysis

Meiqing Zheng Xiaoyi Zhang Ming Zhao Heng Wei Chang Wei Wang Yuji Wang Shiqi Peng

Ground-state properties and hardness of high density BC6N phases originating from diamond structure

Xiaoguang Luo Xiaoju Guo Zhongyuan Liu Julong He Dongli Yu Yongjun Tiana Hui-Tian Wang

GridMol: a grid application for molecular modeling and visualization

Yanhua Sun Bin Shen Zhonghua Lu Zhong Jin Xuebin Chi

Crystal structures and electronic properties of BaC2 isomers by theoretical study based on DFT

FENG Jing XIAO Bing CHEN Jing Chao

Structures and Electrical Transport of Water Molecular Nanotubes Embedded in Carbon Nanotubes (This paper has been published in Journal of Chemical Physics 128,034707(2008), IF=3.4)

H.Li J.X.Zhang X.F.Bian K.M.Liew

Molecular interaction and energy transfer between human serum albumin and bioactive component Aloe dihydrocoumarin

Xiu-Feng Zhang Ling Xie Yang Liu Jun-Feng Xiang Lin Li Ya-Lin Tang

Growth behavior of La@Sin (n=1-21) metal-encapsulated clusters

Qi Peng Jiang Shen