本文练合使用了Monte Carlo(MC)方法;互洽场(MCF)方法和从头计算的晶体轨道(ab initio CO)方法,首先研究了无限周期的多聚α-门冬酰胺的水溶液结构.进而,研究了该水结构对多聚α-门冬酰胺能带结构的影响.结果表明:水的存在增加了多聚α...本文练合使用了Monte Carlo(MC)方法;互洽场(MCF)方法和从头计算的晶体轨道(ab initio CO)方法,首先研究了无限周期的多聚α-门冬酰胺的水溶液结构.进而,研究了该水结构对多聚α-门冬酰胺能带结构的影响.结果表明:水的存在增加了多聚α-门冬酰胺的禁带宽度约0.5电子伏.这一结果与水对多聚α-甘氨酸和多聚α-丙氨酸的影响是有差别的.展开更多
The richest component in living cells is water which plays an important part of maintaining the natural conformation and a series of characteristics of proteins. So studies of water structures in proteins are meaningf...The richest component in living cells is water which plays an important part of maintaining the natural conformation and a series of characteristics of proteins. So studies of water structures in proteins are meaningful for understanding the relationship between展开更多
A model of protein synthesis in an oosperm was put forward by Chen Runsheng, where all the molecules of aminoacid and protein were considered as spherical ones. In this paper, the case where they are all ellipsoids of...A model of protein synthesis in an oosperm was put forward by Chen Runsheng, where all the molecules of aminoacid and protein were considered as spherical ones. In this paper, the case where they are all ellipsoids of revolution is considered, but the rotation of the molecules during diffusion is not taken into account. Also the hypothesis of dilute solution is used. Since the cleavage of the first time may take place at any stage of evolution and uncertainly do at the time when the steady state is reached, solving directly the dynamic partial differential equations will contribute to the acquirement of some fundamental ideas of the whole process of protein synthesis in an oosperm.展开更多
At present, the most reliable method for determining the structures of macro-biomolecules should be the X-ray diffraction one, but it cannot make the structures clear in every detail. For example, reported from abroad...At present, the most reliable method for determining the structures of macro-biomolecules should be the X-ray diffraction one, but it cannot make the structures clear in every detail. For example, reported from abroad there all exist two possible conformations for the 4th residue glutamine and the 22nd residue arginine of the insulin B chain. According to the results of the Insulin Group in Beijing, for B22, this possibility is really true, while for B4, the electron densities possibly representing the second confor-展开更多
Recently, the experimental technique of fast reaction, mainly measuring chemical relaxation, has been widely applied in biochemistry. Eigen had contributed a phenomenological dynamics theory to this technique. However...Recently, the experimental technique of fast reaction, mainly measuring chemical relaxation, has been widely applied in biochemistry. Eigen had contributed a phenomenological dynamics theory to this technique. However, the relaxation dynamics, produced by virtue of a sudden change of some external condition, for hemoglobin (or allosteric enzyme) is completely short of such a study of statistical mechanics foundation. At present it is still a very difficult problem to study completely展开更多
In this paper, it is studied that how the variation of the translational diffusion arising from the molecular configuration influences the dynamic structure of the synthesized proteins, and a definite result is obtained.
I. INTRODUCTIONThe interaction potentials between water molecule (WM) and biological molecules are very useful for studying the aqueous solutions of biological molecules by means of theoretical methods. At present, th...I. INTRODUCTIONThe interaction potentials between water molecule (WM) and biological molecules are very useful for studying the aqueous solutions of biological molecules by means of theoretical methods. At present, there have been many potentials available for WM with neutral amino acids, but those with amino acid zwitterions are much less relatively. In fact,展开更多
It is very important to analyse in theory the effect of local impurity on the electronic structure and energy spectrum of periodic polymers. Since the Koster-Slater model was generalized and further developed by Calla...It is very important to analyse in theory the effect of local impurity on the electronic structure and energy spectrum of periodic polymers. Since the Koster-Slater model was generalized and further developed by Callaway, Kertesz, Biczo, Ladik and Seel, the Green matrix SCF method has been perfected step by step. But up to now it is very展开更多
文摘本文练合使用了Monte Carlo(MC)方法;互洽场(MCF)方法和从头计算的晶体轨道(ab initio CO)方法,首先研究了无限周期的多聚α-门冬酰胺的水溶液结构.进而,研究了该水结构对多聚α-门冬酰胺能带结构的影响.结果表明:水的存在增加了多聚α-门冬酰胺的禁带宽度约0.5电子伏.这一结果与水对多聚α-甘氨酸和多聚α-丙氨酸的影响是有差别的.
文摘The richest component in living cells is water which plays an important part of maintaining the natural conformation and a series of characteristics of proteins. So studies of water structures in proteins are meaningful for understanding the relationship between
文摘A model of protein synthesis in an oosperm was put forward by Chen Runsheng, where all the molecules of aminoacid and protein were considered as spherical ones. In this paper, the case where they are all ellipsoids of revolution is considered, but the rotation of the molecules during diffusion is not taken into account. Also the hypothesis of dilute solution is used. Since the cleavage of the first time may take place at any stage of evolution and uncertainly do at the time when the steady state is reached, solving directly the dynamic partial differential equations will contribute to the acquirement of some fundamental ideas of the whole process of protein synthesis in an oosperm.
文摘At present, the most reliable method for determining the structures of macro-biomolecules should be the X-ray diffraction one, but it cannot make the structures clear in every detail. For example, reported from abroad there all exist two possible conformations for the 4th residue glutamine and the 22nd residue arginine of the insulin B chain. According to the results of the Insulin Group in Beijing, for B22, this possibility is really true, while for B4, the electron densities possibly representing the second confor-
文摘Recently, the experimental technique of fast reaction, mainly measuring chemical relaxation, has been widely applied in biochemistry. Eigen had contributed a phenomenological dynamics theory to this technique. However, the relaxation dynamics, produced by virtue of a sudden change of some external condition, for hemoglobin (or allosteric enzyme) is completely short of such a study of statistical mechanics foundation. At present it is still a very difficult problem to study completely
文摘In this paper, it is studied that how the variation of the translational diffusion arising from the molecular configuration influences the dynamic structure of the synthesized proteins, and a definite result is obtained.
文摘I. INTRODUCTIONThe interaction potentials between water molecule (WM) and biological molecules are very useful for studying the aqueous solutions of biological molecules by means of theoretical methods. At present, there have been many potentials available for WM with neutral amino acids, but those with amino acid zwitterions are much less relatively. In fact,
文摘It is very important to analyse in theory the effect of local impurity on the electronic structure and energy spectrum of periodic polymers. Since the Koster-Slater model was generalized and further developed by Callaway, Kertesz, Biczo, Ladik and Seel, the Green matrix SCF method has been perfected step by step. But up to now it is very
