会议专题

The 6th International Conference of Molecular Simulations and Applied Informatics Technologies(第六届国际分子模拟与信息技术应用学术会议(ICMS&I))

总文献量: 160篇会议类型: 国际会议会议地点: 南京主办单位: 中国化学会;中国药科大学;中国科学院会议日期: 2012-05-13

文章浏览

Novel phenoxyalkylcarboxylic acid derivatives as hypolipidaemic agents

Wei Li Hao-yan Jia Xin-hua He Wei-guo Shi Bo-hua Zhong

Electron Bandstrncture of Smithsonite and Its Mechanism of Flotation Using Hydroxamate as Collector

Qin Wei Xu Sheng-Ming Xu Gang Xie Qiang Wang Cheng-Yan

Clues for future bioprospecting:from the clustered patterns of species origins of nature-derived drugs

朱峰蒋宇扬陈宇综

Fragment Informatics and Computational Fragment-Based Drug Design:An Overview and Update

Chunquan Sheng Wannian Zhang

Marine natural products as sources of novel scaffolds:achievement and concern

De-Xin Kong Ying-Ying Jiang Hong-Yu Zhang

钠蒙脱土晶层间水分子结构分子动力学模拟

况联飞商翔宇赵晓东

TiO2分子在GaN(0001)表面吸附的理论研究

黄平杨春

KDP晶体固-液界面吸附行为的分子模拟研究

周广刚卢贵武矫玉秋李英峰王坤于养信

Superconducting high-pressure phase of platinum hydride from first principles

Xiang-Feng Zhou Artem R.Oganov Xiao Dong Lixin Zhang Yongjun Tian Hui-Tian Wang

Computer-Based De Novo Designs of Tripeptides as Novel Neuraminidase Inhibitors

Zhiwei Yang Fei Wu Gang Yang

Effect of carbon concentration on shear modulus of (W1/2Al1/2)Cz

L, L.Wang J.S.Lian Q.Jiang

Novel Superhard Carbon:C-Centered Orthorhombic C8

Zhisheng Zhao Bo Xu Xiang-Feng Zhou Li-Min Wang Bin Wen Julong He Zhongyuan Liu Hui-Tian Wang Yongjun Tian

Molecular simulation:an efficient tool to understand the microscopic mechanism of bioseparation

Dong-Qiang Lin Rong-Zhu Wang Hong-Fei Tong Shan-Jing Yao

Roles of Asymmetric Contacts and D-A substituent groups in Molecular Rectification:A First-Principles Study

Shundong Yuan Qunbo Mei Qidan Ling Lianhui Wang Wei Huang

Electronic and Optical Properties of Low-Dimensional B2CN Nanomaterials from First Principles

Jinxia Liang Shaobin Tang Zexing Cao

Universal Phase Transitions of B1-Structured Stoichiometric Transition Metal Carbides

Zhisheng Zhao Xiang-Feng Zhou Li-Min Wang Bo Xu Julong He Zhongyuan Liu Hui-Tian Wang Yongjun Tian

Synergistic Effects in La/N Codoped TiO2 Anatase (101) Surface Correlated with Enhanced Visible-Light Photocatalytic Activity

Liming Sun Xian Zhao Xiufeng Cheng Honggang Sun Yanlu, Li Pan Li Weiliu Fan

The Effects of Biological Environments on the Electron-Relay Functionality of Tryptophan Residues in Proteins

Xiaohua Chen Hongjing Dai Jilai Li Xuri Huang Zidong Wei

Insights into binding modes of μ-opioid receptor agonists and antagonists with pharmacophore model and docking methods

Juniie Ding Xiaoqin Ding Dayu Li Jisheng Chen

Structure sensitivity of double bond isomerization of butene over MgO surfaces:A periodic DFT study

Chuan-Ming Wang Yang-Dong Wang Jing Dong Su Liu Zai-Ku Xie