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

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Density functional theory (DFT)-based modified embedded atom method potentials:Bridging the gap between nanoscale theoretical simulations and DFT calculations

YANG Fan LIU YuWen OU LiHui WANG Xin CHEN ShengLi

Effects of surface modifications on band gaps and electronic states of GaN/InN core/shell nanowires

M.X.Xiao M.Zhao Q.Jiang

Identification of conformational core epitope Lys68 in CSa based on the 3-D modeling complex C5a and its functional antibody F20

Huawei Wei Beifen Shen Yan Li Zhou Lin Jiannan Feng Hui Peng Renfeng Guo Gencheng Han Shusheng Geng Xiaoling Lang Yingxun Sun

Evaluating the C, N, and F Pairwise Codoping Effect on the Enhanced Photoactivity of ZnWO4:The Charge Compensation Mechanism in Donor-Acceptor Pairs

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

钢/铝异种金属激光焊接界面微合金化的第一性原理研究

彭艳周惦武徐少华彭平刘金水

Novel conformationally restricted triazole derivatives with potent antifungal activity

Wenya Wang Shengzheng Wang Yang Liu Guoqiang Dong Yongbing Cao Zhenyuan Miao Jianzhong Yao Wannian Zhang Chunquan Sheng

Investigating structural stability of CIC-ecl antiporter by using MD simulation

Tao Yu Chun-Xu Pan Jian-Ping Sang Xian-Wu Zou

Research on Crosslinking Mechanism of PET and N100 System and Compatibility with Plasticizers

Lan Yanhua Li Dinghua Zhai Jinxian Qu Zhengyang Yang Rongjie

Three Dimensional Carbon-Nanotube Polymers

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

Molecule dynamic study of polyacrylamide behavior in solution

Bo Xiao Lin Yao Qiang Yin Panke Chen Huixia Wang Ge Zhou Bo Jiang

The Peptide Derived from erbB2 Auto-Inhibitor Herstatin Shared in the Same Epitope and Function with Functional Antibody 2C4

Ming Lv Chunxia Qiao Nan Jiang Xinying Li Ming Yu Chunmei Hou Yan Li Jiannan Feng Beifen Shen

Computer-Aided Design and Synthesis of Novel Human Aromatase (CYP19) Inhibitors

戴玉杰魏树梅王海宽李正军王强

Dissipative Particle Dynamics Simulation of Interface Tension in the Ternary Triton X-100/Toluene/H2O System

JING Bo ZHANG Jian TAN Ye-Bang

Design, synthesis, and activity evaluation of broad-spectrum small-molecule inhibitors of anti-apoptofic Bcl-2 family proteins:Characteristics of broad-spectrum protein binding and its effects on anti-tumor activity

Can-Hui Zheng Jia-Guo Lv Ju Zhu you-Jun Zhou Hui Yang Meng Zhang Shi-Hai Lu Duo Shi Juan Wang Xiu-Hua Chen Xiao-Hui Ren Jia Liu

Docking study for the mechanism of a novel Ras inhibitor

Xinying Chen Xiao Zang Zichun Hua Jiahuang Li

Simulation Study on the Miscibility of Energetic Binder Poly(glycidyl nitrate) with several Plasticizers

Wen Qian

ZrV2结构和热力学性质的第一原理计算

刘显坤郑洲兰晓华

Characterization of a rituximab variant with potent antitumor activity against rituximab-resistant B-cell lymphoma

Bohua Li Hao Wang Yajun Guo Lei Zhao Huaizu Guo Chong Wang Xunming Zhang Lan Wu Lin Chen Qing Tong Weizhu Qian

Surface Energy and Site Dependent Cohesive Energy of Ag Clusters

D.Liu Z.Wen Q.Jiang

Molecular Dynamics Studies of β-Hairpin Folding with the Presence of the Sodium Ion

Xiaomin Wu Gang Yang Yuangang Zu Lijun Zhou