会议专题

The 3rd International Conference of Molecular Simulations and Applied Informatics Technologies(第三届国际分子模拟与信息技术应用学术会议)

总文献量: 134篇会议类型: 国际会议会议地点: 杭州主办单位: 中国化学会;浙江工业大学会议日期: 2007-04-01

文章浏览

Pressure effect on the microphase separation of diblock copolymer melts studied by dynamic density functional theory based on equation of state

Xu Hui Liu Honglai Hu Ying

Understanding Hydrogen Adsorption in Metal-Organic Frameworks with Open Metal Sites: A Computational Study

Qingyuan Yang Chongli Zhong

Evaluation of momentum conservation influence in non-equilibrium molecular dynamics methods to compute thermal conductivity

ZhengXing Huang ZhenAn Tang

Actions between neonicotinoids and key residues of insect nAChR based on an ab initio quantum chemistry study: Hydrogen bonding and cooperative π-π interaction

Yanli Wang Jiagao Cheng Xuhong Qian Zhong Li

Bond Curvature Criterion to Reactiveties of Infinite Single-Walled Carbon Nanotubes

Guixiao Jia Junqian Li Yongfan Zhang

The rational designed antagonist derived from the complex structure of interleukin-6 and its receptor affectively blocking interleukin-6 might be a promising treatment in multiple myeloma

Jiannan Feng Zhenhui Yang Yan Li Meiru Hu Ming Yu Weisong Qin Jian Sun Beifen Shen

TOWARD A BLUEPRINT FOR β-PRIMEVEROSIDASE FROM TEA LEAVES STRUCTURE/FUNCTION PROPERTIES:HOMOLOGY MODELING STUDY

WEI-WEI HAN ZE-SHENG LI QING-CHUAN ZHENG CHIA-CHUNG SUN

Electronic Structures and Hydrogen Bond Network of High-Density and Very High-Density Amorphous Ices

C.He J.S.Lian Q.Jiang

Novel optical properties of n-Alkylammonium Dihydrogen Phosphates under ultraviolet excitation and first principle study

Xiao-Jun Wang Ming-Hui Ge Zhen-Yong Man Jing-Tai Zhao

Interactions of Aryloxyphenoxypropionic Acids with Sensitive and ResistantAcetyl-Coenzyme A Carboxylase by Homology Modeling and Molecular Dynamic Simulations

Xiao-Lei Zhu Li Zhang Qiong Chen Jian Wan Guang-Fu Yang

Pressure-induced polymorphism in Al3BC3: A first-principles study

Jingyang Wang Yanchun Zhou Zhijun Lin Ting Liao

The Isc A from Acidithiobacillus ferrooxidans is an iron-sulfur protein which assemble the Fe4S4Cluster with intracellular iron and sulfur

Jia Zeng Meimei Geng Huidan Jiang Yuandong Liu Jianshe Liu Guanzhou Qiu

The structures and magnetic moments of Fe-C clusters

Qing-Min Ma Zun Xie Jing Wang Ying Liu

Why WrbA is weaker than flavodoxin in binding FMN.A molecular modeling study

Hong-Fang Ji Liang Shen Jannette Carey Rita Grandori Hong-Yu Zhang

Discrimination of Esterase and Peptidase Activities of Acylaminoacyl Peptidase from Hyperthermophilic Aeropyrum pernix K1 by a Single Mutation

Qiuyan Wang Guangyu Yang Yanli Liu Yan Feng

Cooperative Self-Assembly of Nanoparticle Mixtures in Lamellar Diblock Copolymers: A Dissipative Particle Dynamics Study

Dahuan Liu Chongli Zhong

Role of phosphorylated Thr-197 in the catalytic subunit of cAMP-dependent protein kinase

Hai-Xiao Jin Tian-Xing Wu Yong-Jun Jiang Jian-Wei Zou Shu-Lin Zhuang Xiang Mao Qing-Sen Yu

Computational design and synthesis of molecularly imprinted polymers for selective recognition and large enrichment of dimethoate from tea leaves

Yongqin Lv Zhixing Lin Wei Feng Xin Zhou Tianwei Tan

A novel designed single domain antibody on 3-D structure of ricin A chain remarkably blocked ricin-induced cytotoxicity

Shuntao Wang Beifen Shen Jiannan Feng Jianwei Guo Leiming Guo Yan Li Yingxun Sun Weisong Qin Meiru Hu Gencheng Han

First-principles studies of structural and electronic properties of hexagonal BC5

Qianku Hu Qinghua Wu Yanming Ma Lijun Zhang Zhongyuan Liu Julong He Hong Sun Hui-Tian Wang Yongjun Tian