寻找改进蛋白质折叠速率可预测性的经验参数,是理解蛋白质折叠机制的重要途径之一。假设蛋白质的折叠元件为天然态二级结构,对折叠元件的组织过程即为折叠。构造了表征折叠自由能垒高度的经验参数——二级结构数与非局域相互作用的耦合(...寻找改进蛋白质折叠速率可预测性的经验参数,是理解蛋白质折叠机制的重要途径之一。假设蛋白质的折叠元件为天然态二级结构,对折叠元件的组织过程即为折叠。构造了表征折叠自由能垒高度的经验参数——二级结构数与非局域相互作用的耦合(coupling of secondary structure number and nonlocal interaction,CSNI),进一步按照过渡态理论建立了折叠速率预测模型。在现有实验资料集上检验,CSNI模型对折叠速率的拟合优度达到R2=0.73,相关性优于现有的典型模型,并且由CSNI模型所呈现的折叠自由能景观,为深入理解蛋白质折叠机制提供了见解.展开更多
The interaction potential between a spherical and a deformed nucleus is calculated within the double-folding model for deformed nuclei. We solve the double folding potential numerically by using the truncated multipol...The interaction potential between a spherical and a deformed nucleus is calculated within the double-folding model for deformed nuclei. We solve the double folding potential numerically by using the truncated multipole expansion method. The shape, separation and orientation dependence of the interaction potential, fusion cross section and barrier distribution of the system ^16O＋^154Sm are investigated by considering the quadrupole and hexadecapole deformations of ^154Sm. It is shown that the height and the position of the barrier depend strongly on the deformation and the orientation angles of the deformed nucleus. These are quite important quantities for heavy-ion fusion reactions, and hence produce great effects on the fusion cross section and barrier distribution.展开更多
文摘寻找改进蛋白质折叠速率可预测性的经验参数,是理解蛋白质折叠机制的重要途径之一。假设蛋白质的折叠元件为天然态二级结构,对折叠元件的组织过程即为折叠。构造了表征折叠自由能垒高度的经验参数——二级结构数与非局域相互作用的耦合(coupling of secondary structure number and nonlocal interaction,CSNI),进一步按照过渡态理论建立了折叠速率预测模型。在现有实验资料集上检验,CSNI模型对折叠速率的拟合优度达到R2=0.73,相关性优于现有的典型模型,并且由CSNI模型所呈现的折叠自由能景观,为深入理解蛋白质折叠机制提供了见解.
基金National Natural Science Foundation of China (60572177)
文摘The interaction potential between a spherical and a deformed nucleus is calculated within the double-folding model for deformed nuclei. We solve the double folding potential numerically by using the truncated multipole expansion method. The shape, separation and orientation dependence of the interaction potential, fusion cross section and barrier distribution of the system ^16O＋^154Sm are investigated by considering the quadrupole and hexadecapole deformations of ^154Sm. It is shown that the height and the position of the barrier depend strongly on the deformation and the orientation angles of the deformed nucleus. These are quite important quantities for heavy-ion fusion reactions, and hence produce great effects on the fusion cross section and barrier distribution.
