会议专题

第八届国际分子模拟与信息技术应用学术会议

总文献量: 270篇会议类型: 国内会议会议地点: 大连主办单位: 中国化学会;大连理工大学;中科院会议日期: 2016-09-24

文章浏览

Q18Mg6(B5O10)3(B7O14)2F(Q=Rb and Cs):包含两个较大的孤立的同时具有相似拓扑的聚硼阴离子新型硼酸盐

王正张敏苏欣潘世烈杨志华张辉刘璐

Design,synthesis,evaluation and 3D-QSAR analysis of benzosulfonamide benzenesulfonates as potent and selective inhibitors of MMP-2

Han-Yue Qiu Zhong-Chang Wang Peng-Fei Wang Xiao-Qiang Yan Xiao-Ming Wang Yong-Hua Yang Hai-Liang Zhu

Effect of the cation size on the framework structures of magnesium tungstate,A4Mg(WO4)3(A = Na,K),R2Mg2(WO4)3(R = Rb,Cs)

Shujuan Han Ying Wang Qun Jing Hongping Wu Shilie Pan Zhihua Yang

Synthesis,biological evaluation,and molecular docking studies of novel chalcone oxime derivatives as potential tubulin polymerization inhibitors

Yan-Ting Wang Ya-Juan Qin Ya-Liang Zhang Yu-Jing Li Bing Rao Yan-Qing Zhang Meng-Ru Yang Ai-Qin Jiang Jin-Liang Qi Hai-Liang Zhu

Synthesis,biological evaluation and molecular docking studies of novel l-(4,5-dihydro-lH-pyrazol-1-yl)ethanone-containing 1-methylindol derivatives as potential tubulin assembling inhibitors

Meng-Ru Yang Ya-Juan Qin Chen Chen Ya-Liang Zhang Bo-Yan Li Tian-Bao Liu Hai-Bin Gong Bao-Zhong Wang Hai-Liang Zhu

A semiconductive superhard FeB4 phase from first-principles calculations

Qianqian Wang Qian Zhang Meng Hu Mengdong Ma Bo Xu Julong He

基于实验和计算对LiPbPO4非线性光学性质的研究

韩国鹏刘琼王颖苏欣杨志华潘世烈

Influence of original and simulated microscopic units on SHG response in semiorganic NLO materials

Dianwei Hou Bing-Hua Lei Shilie Pan Bingbing Zhang Zhihua Yang

新型结构锁定多烯衍生物的合成,晶体生长和二阶非线性光学效应

张馨元姜兴兴李寅林哲帅张国春吴以成

硅铋石型Ba3Eu(PO4)3和Sr3Eu(PO4)3晶体结构和光学性质的比较

姬海鹏黄朝辉夏志国 Maxim S.Molokeev 姜兴兴林哲帅 Victor V.Atuchin

Cu4团簇掺杂的单层MoS2催化CO氧化

陈志文鄢俊敏郑伟涛蒋青

TKX-50/ε-CL-20共晶的分子动力学模拟

熊书玲陈树森金韶华张春园

Study of acylhydrazone derivatives with deoxygenated seven-membered rings as potential β-ketoacyl-acyl carrier protein synthase Ⅲ(FabH)inhibitors

Yang Zhou Yin Luo Yu-Shun Yang Liang Lu Hai-Liang Zhu

Discovery and Identification of Agonists of Cyclic ADP-ribose Regulated Calcium Pathway Discovery and Identification of Agonists of Cyclic ADP-ribose Regulated Calcium Pathway

Xuan Wang Shuang Zhang Hongwei Jin Zhenming Liu Liangren Zhang Lihe Zhang

A rational design for improving the trypsin resistance of aflatoxin-detoxifizyme(ADTZ)based on molecular structure evaluation

Yuxin Qiu Xiyang Wu Chunfang Xie Yadong Hu Daling Liu Yi Ma Dongsheng Yao

Si clusters/defective graphene composites as Li-ion batteries anode materials:a density functional study

Meng Li Yue-Jie Liu Jing-xiang Zhao Xiao-guang Wang

Identification of an anti-TB compound targeting the tyrosyl-tRNA synthetase

Ningyu Zhu Yuan Lin Dongsheng Li Nana Gao Chang Liu Xuefu You Jiandong Jiang Wei Jiang Shuyi Si

构建块体和尺寸依赖的二元匀晶相图的新方法

赵宁贺玉泉杨春成

等离子氟化的单层石墨烯的光谱研究及其气体传感应用

章辉范丽巍董慧龙张平平聂开琪钟俊李有勇郭晶华孙旭辉

Synthesis,Molecular Modeling,and Biological Evaluation of Novel 1,3-Diphenyl-2-propen-1-one Based Pyrazolines as Anti-inflammatory Agents

Syed Nasir Abbas Bukhari Xin Zhang Ibrahim Jantan Hai-Liang Zhu Muhammad Wahab Amjad Vijay H.Masand