activesite相关论文
Characterizing spatial distribution of the adsorbed water in wood cell wall by micro-FTIR and confoc
The adsorbed water is known to have a significant influence on the physical and mechanical properties of wood.To gain a ......
Cathepsin K(CTSK),a member of lysosomal cysteine proteases,has been implicated in the process of bone resorption [1].Inh......
Mutation effects of neuraminidases and their docking with ligands: a molecular dynamics and free ene
A systematic study has been performed on neuraminidase (NA) mutations and NA-inhibitor docked complexes, with the aim to......
贵金属Pt催化剂具有高活性和热稳定性,广泛应用于催化挥发性有机物的完全氧化反应(燃烧反应).短链烷烃(甲烷、乙烷、丙烷等)化学性......
Determination of structure-activity relationships between fentanyl analogs and human μ-opioid recept
Fentanyl is a potent and widely used clinical narcotic analgesic, as well as a highly selective μ-opioid agonist. The p......
CD59 may inhibit the cytolytic activity of complement by binding to C8/C9 and protect host cell membranes against homolo......
Unraveling and optimizing the metal-metal oxide synergistic effect in a highly active Cox(CoO)1-x ca
The relation between catalytic reactivities and metal/metal oxide ratios,as well as the functions of the metal and the m......
密度泛函理论结合拓扑学原理,在B3LYP/Lan12dz水平下对团簇V3BP各个可能构型进行优化和频率计算,现对其成键、轨道贡献及活性位进......
基于密度泛函理论在B3LYP/Lanl2dz水平下的团簇Ti3B2的优化构型,对其从HOMO、LUMO轨道贡献、能隙差值以及Fermi能级图等方面来研究......
采用非电沉积法制备的钯负载泡沫镍电极作为阴极,直径0.6 mm的铂丝作为阳极,对三氯乙酸进行恒电流电化学还原脱氯研究。考察了初始......
