论文部分内容阅读
胰岛淀粉样多肽聚集及抑制剂干扰其聚集体形成的分子机制研究
【机 构】
:
兰州大学,兰州,730000
【出 处】
:
第十三届全国计算机化学学会会议
【发表日期】
:
2015年期
其他文献
First-principles Studies of Photocatalytic HER Activity about TiO2(001)Surface Loaded with Metal Ato
According to Sabatier principle,12 13 5 6 7 8 9 10 11 4a 1 2 3 4 should be zero,under this condition the overall reaction has the maximum rate.We analyzed t
会议
From determination of the fugacity coefficients to estimation of hydrogen storage capacity:A conveni
The equation of state(EOS)from virial expansion(VE)is used in this work to pave the way for determining the fugacity coefficients of the hydrogen fluid at a
会议
The mechanism for aerobic oxidation of 2,3,6-trimethylphenol(TMP)to 2,3,6-trimethyl-1,4-benzoquinone(TMBQ)catalyzed by CuCl has been studied using DFT calcu
会议
Computational Insight into Molecular Mechanism of Thioesterase-catalyzed Macrocyclization in Erythro
Macrocyclic polyketides,biosynthesized by modular polyketide synthases(PKSs),have been developed into successful pharmaceuticals.Substantial efforts have be
会议
Could the description on polynuclear superhalogens by DFT be comparable with high-level CCSD(T)resul
A benchmark DFT study of 17 XC functionals were performed on different types of superhalogens1,2 with high-level CCSD(T)results as the reference.3 The super
会议
Assessment of a cost-effective approach to the calculation of kinetic and thermodynamic properties o
In this work,we carried out a comprehensive density functional theory(DFT)study on the basis of a trimer-to-tetramer radical reaction model to assess a cost
会议
寡糖是一类具有一定功能性的低聚糖,广泛应用于食品、保健品、饮料、医药、饲料添加剂等领域。它是替代蔗糖的新型功能性糖源,是面向二十一世纪“未来型”新一代功效食品。
A DFT investigation of zinc(Ⅱ)complex with5-amino-2-(1H-benzoimidazol-2-yl)phenol:Charge transfer an
Metal chelate complexes belong to a kind of the most important emitting materials for OLEDs.The well-known one is Alq3.In spite of the success of Alq3,there
会议