Using the latest reported homologous Chemokine receptors （PDB ID： 3ODU, 3OE0 and 3OE6） as templates, twenty models of angiotensin II （Ang II） type 1 （AT1） receptor （known as p30556） were generated by multiple...Using the latest reported homologous Chemokine receptors （PDB ID： 3ODU, 3OE0 and 3OE6） as templates, twenty models of angiotensin II （Ang II） type 1 （AT1） receptor （known as p30556） were generated by multiple templates homology modeling. According to the results of the initial validation of these twenty models, the model 0020 was finally chosen as the best one for further studies. Then, a 2 ns molecular dynamic （MD） simulation for model 0020 was conducted in normal saline （0.9%, w/F） under periodical boundary conditions, which was followed by docking studies of model 0020 with several existing AT1 receptor blockers （ARBs）. The docking results reveal that model 0020 possesses good affinities with these docked ARBs which are in accordance with both the IC50 inhibitor values and their curative effects. The results also show more potent interactions between the model 0020 and its ARBs than those of ever reported results, such as hydrogen bonds, hydrophobic interactions, and especially cation-n interactions and π-π interactions which have never been reported before. This may reveal that the structure of the model 0020 is quite close to its real crystal structure and the model 0020 may have the potential to be used for structure based drug design：展开更多
The oil-pressboard insulation is a typical composite insulation system widely used in the design and manufactory of large power apparatus. The implement of oil-pressboard insulation may lead to surface electrification...The oil-pressboard insulation is a typical composite insulation system widely used in the design and manufactory of large power apparatus. The implement of oil-pressboard insulation may lead to surface electrification and discharge at the interface under certain condition. It is of significant importance to take an insight into the phenomenon occurring at the interface. Through experiment, the pressboard is found as a porous material. The interface changes abruptly from bulk pressboard to the bulk oil as a result of the porous structure. A new model is proposed which divides the interface into bulk oil region, transition region, and bulk pressboard region. The width of the transition region is decided according to the microtome figure. The effective permittivity of the transition region is calculated using a new model based on fractal theory. The model is validated and compared with previous calculation model. The effect of the existence of transition region on the electric field distribution is discussed.展开更多
基金Project(20876180)supported by the National Natural Science Foundation of China
文摘Using the latest reported homologous Chemokine receptors （PDB ID： 3ODU, 3OE0 and 3OE6） as templates, twenty models of angiotensin II （Ang II） type 1 （AT1） receptor （known as p30556） were generated by multiple templates homology modeling. According to the results of the initial validation of these twenty models, the model 0020 was finally chosen as the best one for further studies. Then, a 2 ns molecular dynamic （MD） simulation for model 0020 was conducted in normal saline （0.9%, w/F） under periodical boundary conditions, which was followed by docking studies of model 0020 with several existing AT1 receptor blockers （ARBs）. The docking results reveal that model 0020 possesses good affinities with these docked ARBs which are in accordance with both the IC50 inhibitor values and their curative effects. The results also show more potent interactions between the model 0020 and its ARBs than those of ever reported results, such as hydrogen bonds, hydrophobic interactions, and especially cation-n interactions and π-π interactions which have never been reported before. This may reveal that the structure of the model 0020 is quite close to its real crystal structure and the model 0020 may have the potential to be used for structure based drug design：
基金Project(2009CB724504)supported by the National Basic Research Program of China
文摘The oil-pressboard insulation is a typical composite insulation system widely used in the design and manufactory of large power apparatus. The implement of oil-pressboard insulation may lead to surface electrification and discharge at the interface under certain condition. It is of significant importance to take an insight into the phenomenon occurring at the interface. Through experiment, the pressboard is found as a porous material. The interface changes abruptly from bulk pressboard to the bulk oil as a result of the porous structure. A new model is proposed which divides the interface into bulk oil region, transition region, and bulk pressboard region. The width of the transition region is decided according to the microtome figure. The effective permittivity of the transition region is calculated using a new model based on fractal theory. The model is validated and compared with previous calculation model. The effect of the existence of transition region on the electric field distribution is discussed.
