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
The Bayesian neural network(BNN)has been widely used to study nuclear physics in recent years.In this study,a BNN was applied to optimize seven theoretical nuclear mass models,namely,six global models and one local mo...The Bayesian neural network(BNN)has been widely used to study nuclear physics in recent years.In this study,a BNN was applied to optimize seven theoretical nuclear mass models,namely,six global models and one local model.The accuracy of these models in describing and predicting masses of nuclei with both the proton number and the neutron number greater than or equal to eight was improved effectively for two types of numerical experiments,particularly for the liquid drop model and the relativistic mean-field theory,whose root mean square deviations(RMSDs)for describing(predicting)nuclear masses were reduced by 81.5%-90.6%(66.9%-84.2%).Additionally,the relatively stable RMSDs as nuclei move away from theβ-stability line and the good agreement with experimental single-neutron separation energies further confirm the reliability of the BNN.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
This paper was published online on 28 June 2025,and there is a numerical error in Fig.1 of the published version.This correction only resulted in minor changes to the last decimal places of the root mean square(rms)de...This paper was published online on 28 June 2025,and there is a numerical error in Fig.1 of the published version.This correction only resulted in minor changes to the last decimal places of the root mean square(rms)deviation of the BWK formula,and through rigorous verification,such discrepancies will not have any impact on the key conclusions of the paper.The Fig.1 in the published version is corrected as Fig.1 in this erratum.Fig.1.Differences between the experimental binding energies and predictions calculated using the BWK*and BWK formulas,respectively.The dashed lines denote the traditional magic numbers.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The Bayesian neural network(BNN)has been widely used to study nuclear physics in recent years.In this study,a BNN was applied to optimize seven theoretical nuclear mass models,namely,six global models and one local model.The accuracy of these models in describing and predicting masses of nuclei with both the proton number and the neutron number greater than or equal to eight was improved effectively for two types of numerical experiments,particularly for the liquid drop model and the relativistic mean-field theory,whose root mean square deviations(RMSDs)for describing(predicting)nuclear masses were reduced by 81.5%-90.6%(66.9%-84.2%).Additionally,the relatively stable RMSDs as nuclei move away from theβ-stability line and the good agreement with experimental single-neutron separation energies further confirm the reliability of the BNN.
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.
基金National Natural Science Foundation of China(12375109,11875070,11935001)the Anhui project(Z010118169)+2 种基金the Key Research Foundation of Education Ministry of Anhui Province(2023AH050095)University Synergy Innovation Program of Anhui Province(GXXT-2023-007)the University Natural Science Outstanding Youth Research Projects of Anhui Province(2022AH030039)。
文摘This paper was published online on 28 June 2025,and there is a numerical error in Fig.1 of the published version.This correction only resulted in minor changes to the last decimal places of the root mean square(rms)deviation of the BWK formula,and through rigorous verification,such discrepancies will not have any impact on the key conclusions of the paper.The Fig.1 in the published version is corrected as Fig.1 in this erratum.Fig.1.Differences between the experimental binding energies and predictions calculated using the BWK*and BWK formulas,respectively.The dashed lines denote the traditional magic numbers.
