The influence of water on protein conformation was investigated by simulating the molecular dynamics of a model protein lysozyme in different water systems.The lysozyme-water system with TIP3P water model and lysozyme...The influence of water on protein conformation was investigated by simulating the molecular dynamics of a model protein lysozyme in different water systems.The lysozyme-water system with TIP3P water model and lysozyme-water cluster system with six-ring water model were evaluated.In addition,the radial distribution function of solvent around lysozyme was calculated.It is found that the distribution of water molecules around lysozyme is similar to that of water clusters.The analyses of dihedral angles and disulfide bonds of lysozyme show that the conformation of lysozyme is severely damaged in the lysozyme-water cluster system compared with that in the lysozyme-water system.This difference can be attributed to the formation of larger number of intermolecular hydrogen bonds between lysozyme and water cluster.It is in agreement with the analysis that water clusters can change the degree of denaturation in the process of heat denaturation of lysozyme.展开更多
Several nuclear charge radii had been calculated based on the law of A1/3 and isospin dependence Z1/3 formula which had been used to describe the charge radii data. It is achieved that the isospin dependence Z1/3 form...Several nuclear charge radii had been calculated based on the law of A1/3 and isospin dependence Z1/3 formula which had been used to describe the charge radii data. It is achieved that the isospin dependence Z1/3 formula is superior to the generally accepted A1/3 law through mean root square deviation analysis, that is, the Z1/3 formula is more effective to describe the charge radii data.展开更多
基金Supported by National Natural Science Foundation of China (No. 20676094)
文摘The influence of water on protein conformation was investigated by simulating the molecular dynamics of a model protein lysozyme in different water systems.The lysozyme-water system with TIP3P water model and lysozyme-water cluster system with six-ring water model were evaluated.In addition,the radial distribution function of solvent around lysozyme was calculated.It is found that the distribution of water molecules around lysozyme is similar to that of water clusters.The analyses of dihedral angles and disulfide bonds of lysozyme show that the conformation of lysozyme is severely damaged in the lysozyme-water cluster system compared with that in the lysozyme-water system.This difference can be attributed to the formation of larger number of intermolecular hydrogen bonds between lysozyme and water cluster.It is in agreement with the analysis that water clusters can change the degree of denaturation in the process of heat denaturation of lysozyme.
文摘Several nuclear charge radii had been calculated based on the law of A1/3 and isospin dependence Z1/3 formula which had been used to describe the charge radii data. It is achieved that the isospin dependence Z1/3 formula is superior to the generally accepted A1/3 law through mean root square deviation analysis, that is, the Z1/3 formula is more effective to describe the charge radii data.
