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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Corrosion inhibition performance of tannins for mild steel in hydrochloric acid solution

Baohua Zhao Weimo Han Wenhua Zhang Bi Shi

Predicting tyrosinase inhibition by 3D QSAR pharmacophore models and designing potential tyrosinase inhibitors from Traditional Chinese medicine database

Hongwei Gao

Metronidazole containing pyrazole derivatives potently inhibit tyrosyl-tRNA synthetase:design, synthesis, and biological evaluation

Long-Wang Chen Peng-Fei Wang Dan-Jie Tang Xiang-Xiang Tao Ruo-Jun Man Han-Yue Qiu Zhong-Chang Wang Chen Xu Hai-Liang Zhu

Discovery of VEGFR2 inhibitors by integrating na(i)ve Bayesian classification, molecular docking and drug screening approaches

De Kang Xiaocong Pang Wenwen Lian Lvjie Xu Jinhua Wang Hao Jia Baoyue Zhang Ai-Lin Liu Guan-Hua Du

Identification of a novel ACE-inhibitory peptide from casein and evaluation of the inhibitory mechanisms

Maolin Tu Cong Wang Cheng Chen Ruyi Zhang Hanxiong Liu Weihong Lu Lianzhou Jiang Ming Du

Understanding the Role of Promoters for Propane Dehydrogenation Catalysts

Zhi-Jian Zhao Tengfang Wu Gang Liu Zhiping Han Feng Jiang Jinlong Gong

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

Maximal Unbiased Benchmarking Data Sets for Human Chemokine Receptors and Its Comparative Analysis

Jie Xia Terry-Elinor Reid Song Wu Liangren Zhang Xiang Simon Wang

Discovery of Selective Protein Arginine Methyltransferase 5 (PRMT5) Inhibitors and Biological Evaluations

Sen Ji Shuang Ma Wen-Jing Wang Shen-Zhen Huang Tian-qi Wang Rong Xiang Yi-Guo Hu Qiang Chen Lin-Li Li Sheng-Yong Yang

Synthesis and Biological Evaluation of 1-Methyl-1H-indole-Pyrazoline Hybrids as Potential Tubulin Polymerization Inhibitors

Ya-Liang Zhang Ya-Juan Qin Dan-Jie Tang Meng-Ru Yang Bo-Yan Li Yan-Ting Wang Hong-Yu Cai Bao-Zhong Wang Hai-Liang Zhu

Insight into the effect of maleic acid on the preparation of α-hemihydrate gypsum from phosphogypsum in Na2SO4 solution

Xianbo Li Qin Zhang Baolin Ke Xianchen Wang Longjiang Li Xianhai Li Song Mao

TATB基PBX材料力学性能的粗粒化计算

王丽莉金钊李纪峰孙淮

Temperature dependence of Al elastic constants from first principles

Haijun Zhang

1,3,4-Oxadiazole derivatives as potential antitumor agents:discovery, optimization and biological activity valuation

Yin Luo Zhi-Jun Liu Guo Chen Jing Shi Jing-Ran Li Hai-Liang Zhu

First-principles Study of Site Occupancy of Nb in the Intermetallic Compound TiAl Using Special Quasirandom Structures

Wei Diao Qing-miao Hu Rui Yang

Molecular Dynamics Simulations on Theoretical Viscosity and Mechanical Reinforcement in Melt-Cast Energetic Composite Systems

Wen Qian

Monomeric Corynebacterium glutamicum N-acetyl glutamate kinase maintains sensitivity to L-arginine but has a lower intrinsic catalytic activity

Yuanyuan Huang Cheng Li Hao Zhang Shuli Liang Shuangyan Han Ying Lin Xiaorong Yang Suiping Zheng

Defects and Their Effects on Optical Properties in Nonlinear Optical Crystal CdSiP2:A First-principles Study

Ci wang

Methane Effect for Tight Oil Flowing through Nano-pore Throat:A Molecular Dynamics Simulation Study

张英男燕友果

A rational design for improving the pepsin resistance of cellulase E4 isolated from T.fusca based on the evaluation of the transition complex and molecular structure

Ying Wang Yanxia Zhou Gen Lu Daling Liu Chunfang Xie Dongsheng Yao