The 5th International Conference of Molecular Simulations and Applied Informatics Technologies(第五届国际分子模拟与信息技术应用学术会议 ICMS&I)

Sergio E.Alvarez Tomasz Kordula Sheldon Milstien Sarah Spiegel Kuzhuvelil B.Harikumar Nitai C.Hait Jeremy Allegood Graham M.Strub Eugene Y.Kim Michael Maceyka Hualiang Jiang Cheng Luo

Pharmacophore identification of PAK4 inhibitors

Jian Wang Maocai Yan Dongmei Zhao Yu Sha Feng Li Maosheng Cheng

Boron nitride nanotubes functionalized by a series of carbenes

Fenglei Cao Wei Ren Xianyan Xu Yue-meng Ji Cunyuan Zhao

Construction and Application of Pharmacophore Model of BACE-1 inhibitors

Wen-Ting Zhang Feng-Chao Jiang Bao-Shuai Cao Jin-Lan Ruan

Li-modified metal-organic frameworks for CO2/CH4 separation: a route to achieving high adsorption selectivity

Qing Xu Dahuan Liu Qingyuan Yang Chongli Zhong Jianguo Mi

Lys169 of Human Glucokinase Is a Determinant for Glucose Phosphorylation: Implication for the Atomic Mechanism of Glucokinase Catalysis

Jian Zhang

Discovering Potent Inhibitors Against the β-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) of Helicobacter pylori: Structure-Based Design, Synthesis, Bioassay, and Crystal Structure Determination

Lingyan He Hualiang Jiang Hong Liu Liang Zhang Xiaofeng Liu Xianghua Li Mingyue Zheng Honglin Li Kunqian Yu Kaixian Chen Xu Shen

Covalent complexes of proteasome model with peptide aldehyde inhibitors MG132 and MG101: docking and molecular dynamics study

Siwei Zhang Yawei Shi Hongwei Jin Zhenming Liu Liangren Zhang Lihe Zhang

Computational Insight into the Effect of Monovalent Cations on the Electronic, Optical and Lattice Dynamic Properties of XInSe2 (X=Cu, Ag, Li)

Yanlu Li Weiliu Fan Honggang Sun Pan Li Xian Zhao

会议专题

The 5th International Conference of Molecular Simulations and Applied Informatics Technologies(第五届国际分子模拟与信息技术应用学术会议 ICMS&I)