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排序方式: 共有3679条查询结果,搜索用时 15 毫秒
1.
2.
Edgardo Becerra Giovanny Aguilera-Durn Laura Berumen Antonio Romo-Mancillas Guadalupe García-Alcocer 《Molecules (Basel, Switzerland)》2021,26(4)
Multidrug resistance protein-4 (MRP4) belongs to the ABC transporter superfamily and promotes the transport of xenobiotics including drugs. A non-synonymous single nucleotide polymorphisms (nsSNPs) in the ABCC4 gene can promote changes in the structure and function of MRP4. In this work, the interaction of certain endogen substrates, drug substrates, and inhibitors with wild type-MRP4 (WT-MRP4) and its variants G187W and Y556C were studied to determine differences in the intermolecular interactions and affinity related to SNPs using protein threading modeling, molecular docking, all-atom, coarse grained, and umbrella sampling molecular dynamics simulations (AA-MDS and CG-MDS, respectively). The results showed that the three MRP4 structures had significantly different conformations at given sites, leading to differences in the docking scores (DS) and binding sites of three different groups of molecules. Folic acid (FA) had the highest variation in DS on G187W concerning WT-MRP4. WT-MRP4, G187W, Y556C, and FA had different conformations through 25 ns AA-MD. Umbrella sampling simulations indicated that the Y556C-FA complex was the most stable one with or without ATP. In Y556C, the cyclic adenosine monophosphate (cAMP) and ceefourin-1 binding sites are located out of the entrance of the inner cavity, which suggests that both cAMP and ceefourin-1 may not be transported. The binding site for cAMP and ceefourin-1 is quite similar and the affinity (binding energy) of ceefourin-1 to WT-MRP4, G187W, and Y556C is greater than the affinity of cAMP, which may suggest that ceefourin-1 works as a competitive inhibitor. In conclusion, the nsSNPs G187W and Y556C lead to changes in protein conformation, which modifies the ligand binding site, DS, and binding energy. 相似文献
3.
The existence and occurrence, especially by a backward bifurcation, of endemic equilibria is of utmost importance in determining the spread and persistence of a disease. In many epidemiological models, the equation for the endemic equilibria is quadratic, with the coefficients determined by the parameters of the model. Despite its apparent simplicity, such an equation can describe an amazing number of dynamical behaviors. In this paper, we shall provide a comprehensive survey of possible bifurcation patterns, deriving explicit conditions on the equation's parameters for the occurrence of each of them, and discuss illustrative examples. 相似文献
4.
Lu Chuanrong 《数学年刊B辑(英文版)》1997,18(1):71-78
Let $\{\xi_{\bold t}, {\bold t}
\in {\bold Z}^d\}$ be a nonuniform $\varphi$-mixing strictly stationary
real random field with
$E\xi_{\bold 0}=0, E|\xi_{\bold 0}|^{2+\delta}<\infty$ for some
$0<\delta<1$. A sufficient
condition is given for the sequence of partial sum set-indexed process
$\{Z_n(A),\ A\in \Cal A\}$ to converge to Brownian motion. By a direct
calculation, the author shows
that the result holds for a more general class of set index ${\Cal A}$, where
${\Cal A}$ is assumed only to have the metric entropy exponent $r, 0相似文献
5.
WANG Libin 《数学年刊B辑(英文版)》2002,23(4):439-454
The author gets a blow-up result of C1 solution to the Cauchy problem for a first order quasilinear non-strictly hyperbolic system in one space dimension. 相似文献
6.
非光滑非凸多目标规划解的充分条件 总被引:4,自引:0,他引:4
Kuhn-Tucker型条件的充分性一直是最优化理论中引人注意的一个问题.本文对非光滑函数提出了几个非凸概念,然后,讨论了非光滑非凸多目标规划中Kuhn-Tucker型条件和Fritz John型条件的充分性,在很弱的条件下,建立了一系列充分条件. 相似文献
7.
ON THE UNIQUENESS OF THE WEAK SOLUTIONS OF A QUASILINEAR HYPERBOLIC SYSTEM WITH A SINGULAR SOURCE TERM
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This paper is a continuation of the authors'previous paper[1].In this paper the authorsprove,assuming additional conditions on the initial data,some results about the existence anduniqueness of the entropy weak solutions of the Cauchy problem for the singular hyperbolicsystem a_t+(au)_x_2au/x=0,u_t+1/2(a~2+u~2)_x=0,x>0,t≥0. 相似文献
8.
9.
曾六川 《数学年刊A辑(中文版)》2002,(6)
设X是p一致凸Banach空间,具有弱一致正规结构与非严格的Opial性质.又设C是X的非空凸弱紧子集.在适当的条件下,证明了C上每个渐近正则半群T={T(t):t∈S}都有不动点进一步,在类似的条件下,也讨论了一致凸Banach空间中渐近正则半群的不动点的存在性. 相似文献
10.
李永祥 《数学物理学报(A辑)》2003,23(2):245-252
该文讨论四阶常微分方程边值问题u^(4)(t)=f(t,u,u″), t∈[0,1],u(0)=u(1)=u″(0)=u″(1)=0解的存在性, 其中f(t,u,v):[0,1]×R×R→R为Carathéodory函数. 在不限制f关于u,v的增长阶, 不假定f关于u,v的单调性的一般情形下, 用上下解方法获得了解的存在性结果,并讨论了单调迭代求解的有效性. 相似文献