会议专题

第九届国际分子模拟与信息技术应用学术会议(ICMS&I2018)

总文献量: 77篇会议类型: 国内会议会议地点: 太原主办单位: 中国化学会;中科院;北京创腾科技有限公司会议日期: 2018-05-01

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星形聚合物聚合诱导自组装形成多孔结构的分子模拟研究

李嘉伟燕友果

基于SQS和CPA算法α-Ti合金广义层错能第一性原理比较研究

于慧祁阳胡青苗杨锐

Non-covalent functionalization of monolayer MoS2 with carbon nanotubes:Tuning electronic structure and photocatalytic activity

Zhaogang Zhang Wei-Qing Huang Zhong Xie Wangyu Hu Ping Peng Gui-Fang Huang

Sequence analysis and molecular docking of antithrombotic peptides from casein hydrolysate by trypsin digestion

Maolin Tu Liting Feng Zhenyu Wang Meiling Qiao Fereidoon Shahidi Weihong Lu Ming Du

A novel hirudin derivative inhibiting thrombin without bleeding for subcutaneous injection

Bing Zhao Yanling Zhang Yinong Huang Jinchao Yu Yaran Li Qi Wang Yixin Ma Hou-Yan Song Min Yu Wei Mo

A DFT Study on the Catalytic CO Oxidative Coupling to Dimethyl Oxalate on Al-Doped Core-Shell Pd Clusters

Xue Feng Lixia Ling Yueting Cao Riguang Zhang Maohong Fan Baojun Wang

虚拟筛选发现临床药物的潜在降糖新用途

宋优佳孙印李芷怡张雅娜蒋重宁李思涵王健

Molecules of methanol steam reforming reaction adsorption on Cu-Al spinel surfaces

Gang Feng Li Li Shaojun Qing Rongbin Zhang Zhixian Gao

Design of Potent B-RafV600E Inhibitors by MCSS Strategy

Ze-Feng Wang Peng-Fei Wang Jun-Ting Ma Ying-Zi Chai Hui-Min Hu Wen-Long Gao Zhong-Chang Wang Bao-Zhong Wang Hai-Liang Zhu

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

Rational design for the stability improvement of Armillariella tabescens β-mannanase MAN47 based on N-glycosylation modification

Weixiong Hu Xiaoyun Liu Yufeng Li Daling Liu Zhihe Kuang Chuiwen Qian Dongsheng Yao

Mapping theInteraction Anatomyof BmP02 on Kv1.3 Channel

Wu B Wu B.F Feng Y.J Tao J Ji Y.H

Synthesis, biological evaluation and molecular docking studies of novel 1-(4,5-dihydro-1H-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

Substructure-activity relationship studies on antibody recognition for phenylurea compounds using competitive immunoassay and computational chemistry

Fuyuan Zhang Bing Liu Guozhen Liu Yan Zhang Junping Wang Shuo Wang

表面活性剂与油水界面分子的作用机理

任强侯研博代振宇周涵

A DFT study on the competition and evolution characteristics between icosahedra and FCC clusters in rapid solidification of liquid Ag

Y.Q.Jiang D.D.Wen P.Peng

Discovery of New SIRT2 Inhibitors by Utilizing a Consensus Docking/Scoring Strategy and Structure-Activity Relationship Analysis

Shenzhen Huang Chunli Song Xiang Wang Guo Zhang Yanlin Wang Xiaojuan Jiang Qizheng Sun Luyi Huang Rong Xiang Yiguo Hu Linli Li Shengyong Yang

Simultaneous covalent and noncovalent carbon nanotube/Ag3PO4 hybrids:New insights into the origin of enhanced visible light photocatalytic performance

Zhaogang Zhang

The micro-interaction at solid/liquid interface based on the mineral flotation systems conducted by molecular dynamics simulations

Enze Li Zhiping Du Fangqin Cheng

Expression, Purification, and Mass Spectrometric Analysis of 15N, 13C-Labeled RGD-Hirudin, Expressed in Pichia pastoris, for NMR Studies

Yinong Huang Yanling Zhang Yi Wu Jue Wang Xingang Liu Linsen Dai Longsheng Wang Min Yu Wei Mo