会议专题

The 3rd International Conference of Molecular Simulations and Applied Informatics Technologies(第三届国际分子模拟与信息技术应用学术会议)

总文献量: 134篇会议类型: 国际会议会议地点: 杭州主办单位: 中国化学会;浙江工业大学会议日期: 2007-04-01

文章浏览

Structures and Stabilities of Rings Composed of C20 Cages

刘莹王果黄元河

Homology modeling and molecular dynamics studies on the tomato methyl jasmonate esterase

Wei-Wei Han Ze-Sheng Li Qing-Chuan Zheng Chia-chung Sun

Neuraminidase pharmacophore model derived from diverse classes of inhibitors

Jian Zhang KunQian Yu Weiliang Zhu Hualiang Jiang

Characterization of binding site of closed-state KCNQ1 potassium channel by homology modeling, molecular docking, and pharmacophore identification

Lü-Pei Du Min-Yong Li Keng-Chang Tsai Qi-Dong You Lin Xia

Piezoelectricity of A3BC3D2O14 structure crystals

Jianjun Chen Yanqing Zheng Haikuan Kong Erwei Shi

Study of a ligand complexed with Cdk2/Cdk4 by computer simulation

Yongjun Jiang Jiaimei Zou Chunshan Gui

Density Functional Theory Investigation of Product Distribution following Reaction of Acrylonitrile on Diamond(001)-2×1 Surface

Laibin Zhang Tingqi Ren Hongming Wang Meishan Wang Chuanlu Yang Keli Han

Crystal structure and physical properties of OsN2 and PtN2 in the marcasite phase

Z.W.Chen Y.J.Tian R.P.Liu X.J.Guo Z.Y Liu M.Z.Ma Q.Jing G.Li X.Y.Zhang L.X.Li Q.Wang

Density-functional study of structures and electronic properties of Cadmium Sulfide Clusters

Heying Chu Zhaoxia Liu Deguo Kong Wu Sixin Yuncai Li Zuliang Du

Co(phen)2dpq3+-sheared DNA interactions: Investigation into the basis for major groove recognition and repair

Yan-Bo Wu Zhen-Hai Xiong Hui-Li Chen Pin Yang

Construction of the World Traditional Medicine Patent Database

Yanhuai Liu Xiaobo Liu

Structural Insights into the Effect of Isonucleosides on B-DNA Duplexes using Molecular Dynamics Simulations

Hongwei Jin Suxin Zheng Zhanli Wang Cheng Luo Jianhua Shen Hualiang Jiang Liangren Zhang Lihe Zhang

Molecular Dynamics Studies of Crystalline Bicyclo-HMX (cis-2,4,6,8-Tetranitro-1H,5H-2,4,6,8-tetraazabicyclo3.3.0octane)

Ling Qiu He-Ming Xiao

Study of electronic structure property of Nb-doped SrTi03 by density function theory

Yun Jiang-Ni Zhang Zhi-Yong Zhang Fu-Chun

Dissipative Particle Dynamics Study of the Formation of Multicompartment Micelles from ABC Star Triblock Copolymers in Water

Jun Xia Chongli Zhong

Molecular Dynamics Simulation Study on Controlling the Adsorption Behavior of Polyethylene by Fine Tuning the Surface Nanodecoration of Graphite

王晓琳吕中元李泽生孙家钟

A DFT Study on Electronic Structures and Catalysis of Ag12O6/Ag(111) for Ethylene Epoxidation

W.Gao M.Zhao Q.Jiang

NiAl(110)/Cr(110)interface: A density functional theory study

W.Liu J.C.Li W.T.Zheng Q.Jiang

Predicting hardness of dense C3N4 polymorphs

Julong He Licong Guo Xiaoju Guo Piping Liu Yongjun Tian Huitian Wang Chunxiao Gao

First Principles Calculations on Martensitic Transformation and Phase Instability of Ni-Mn-Ga High Temperature Shape Memory Alloys

Jie Chen Yan Li Jiaxiang Shang Huibin Xu