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

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Atomistic simulation for the phase stability and site preference of R3(Fe,T)29(R=Nd,Gd,Y;T=Ta,W)

Lin Jia Jiang Shen Nan-Xian Chen

Microstructural and stress properties of ultrathin diamondlike carbon films during growth: Molecular dynamics simulations

TianBao Ma YuanZhong Hu Hui Wang Xin Li

Self-Assembly Effects of Cyclic Peptide Dimers: Molecular Modeling Study

Jingchuan ZHU Jie CHENG Bo LIU

Bioinformatics Analysis of PSD-95 Structure and Its Interacting Partners

Chenyi Pan Xiao Wang Wenqi Zhu Jian Wang Zhaohui Zhang Ming Chen

ADME Evaluation in Drug Discovery.7.Prediction of Oral Absorption by Correlation and Classification

Tingjun Hou Junmei Wang Wei Zhang Xiaojie Xu

HDRP-BD:a comprehensive resource and tools for in silico drug discovery and medical science

Zhenming Liu Qingliang Li Peng Ge Jianfeng Pei Jin Chen Bo Li Luhua Lai

Potential synergism and inhibitors to multiple target enzymes of Xuefu Zhuyu Decoction in cardiac disease therapeutics: A computational approach

Qin Huang Xuebin Qiao Xiaojie Xu

Computational Design of BN Nanotube-Based Nanomaterials

周震赵纪军

Insights into thermal stability of the thermophilic nitrile hydratase by molecular dynamics simulation

Jie Liu Huimin Yu Znongyao Shen

Structural characterization of a new layered-ternary Ta4AlC3 ceramic

Z.J.Lin M.J.Zhuo Y.C.Zhou M.S.Li J.Y.Wang

Ab initio study of electronic properties of BxIn1-xP alloys

Deping Xiong Xiaomin Ren Qi Wang Wei Shu Jing Zhou Jihe Lv Shiwei Cai Hui Huang Yongqi Huang

Investigation on photophysical properties of a substituted 3H-indole-modified β-cyclodextrin Ⅰ. Conformation in water and recognition mechanism as a chemosensor

Aihua Wu Qi Chen Ke Xia Tingjun Hou Xinghai Shen Hongcheng Gao Xiaojie Xu

AN ADSORPTION STUDY OF BINDER POLYMERS ON TATB SURFACE USING MOLECULAR DYNAMICS

JIAN LIU FUDE NIE JINSHAN LI XIAOPING ZHAO TIENING HE

A Minimal Structural Analogue of Cyclic ADP-ribose

Andreas H.Gusete Lihe Zhang Xianfeng Gu Liangren Zhang Karin Weber Elisabeth Kr(a)mer Zhenjun Yang Hongwei Jin Qin Li Lucie Carrier

Sno/scaRNAbase: a Curated Database for Small Nucleolar RNAs and Cajal Body-specific RNAs

Jun Xie Ming Zhang Tao Zhou Xia Hua Li-Sha Tang Weilin Wu

Drug-binding Specificity of Human Serum Albumin Investigated by Molecular Modeling Approach

Qiuju Zhou Junfeng Xiang Yalin Tang Zhanli Wang Guangzhi Xu

Computational Simulation Study Towards the Synthesis of Extra-Large Microporous Materials

Jiyang Li Li Li Jihong Yu Ruren Xu

Racemic D,L-Co(phen)2dpq3+-DNA interactions: Investigation into the basis for minor-groove binding and recognition

Yanbo Wu Huili Chen Pin Yang Zhenhai Xiong

Perspective on Kinetic Monte Carlo Simulation of evolution of nanostructure during the early stages of aging in Al alloys

LI Shi-Chen ZHOU Ming ZHENG Zi-qiao

Dissipative Particle Dynamics Simulation of Microphase Separation and Properties of Linear-Dendritic Diblock Copolymer Melts under Steady Shear Flow

Dahuan Liu Chongli Thong