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Therefore, the aim of docking is to find the conformation with the lowest binding free energy.

分子对接包含两个方面,一是快速有效的搜索算法,可以在可能的空间进行构象搜索;另一个是好的打分函数,能够在合理的时间内正确有效地从搜索到的结构中区分出近天然构象。

In the test of weak-form efficient hypothesis, this thesis used auto regression, auto correlation function and unit root three models, and got the basically same results. In the test of semistrong-form efficient hypothesis, this thesis used market model, index return model and constant mean return model three ways to estimate the normal return when making use of event study, and the results were also basically same.

其中,为求全面和比较,在对弱势有效市场的假说的检验部分,本文运用了自回归检验、自相关函数检验和单位根检验三种计量模型,检验结果基本一致;在对半强势有效市场假说的检验部分,本文运用了事件研究法,并在估计正常收益率时使用了市场模型、指数收益模型以及均值模型三种方法,估计结果也相对一致。

In this package, the operations and functions of vector, matrix and pronumber are implemented by object-oriented programming technique, so that the gradient and Hessian of objective function can be calculated automatically and up to the machine precision of computers, and it provides the basis for accurate and effective optimization.

用面向对象技术实现了向量、矩阵和延拓数的相关运算和函数,使得目标函数的梯度和赫斯矩阵可以自动地求出,并且可达机器精度,为准确而有效的优化算法提供了基础。

The problem of overflow during the computation of Green's function can be successfully solved by subtracting the exponential term from the modified Bessel functions.

采用将变型Bessel函数的指数项单独列出的方式有效地解决了Green函数计算中的上溢问题。

The problem of overflow during the computation of Green′s function has been successfully solved by subtracting the exponential term from the modified Bessel functions.

采用将变型Bessel函数的指数项单独列出的方式有效地解决了Green函数计算中的上溢问题。

Increase of the regularity of interpolating scaling functions efficiently improves the approximation power of systems, moreover, that of dual scaling functions markedly enhances the smoothness of duals and improves the frequency characteristics of analysis filters in passband and stopband.

内插尺度函数正则度的增加有效提高了系统的逼近能力,对偶正则度的提高显著增加了对偶尺度函数、对偶小波的光滑性,改善了分析滤波器组的通带、阻带特性。冗余度在一定意义下制约了小波系统的性能。

Our calculation is based on the effective one-hand Halmiltonian and Rashba spin orbit interaction, and the envelope function is used to describe the electron wave function on the channel.

我们的计算是建立在有效的单电子能带哈密顿量以及Rashba自旋轨域作用的理论下,加之以包络函数来描述在二维InAs通道上电子的波函数。

The saturated water content, field moisture capacity, wilting coefficient, available water, readily available water, slowly available water of experimented soils respectively has negative power, logarithmic, exponential, exponential, exponential, power, logarithmic relationship with soil bulk density.

土壤容重对土壤水分蓄持能力有较大影响,土壤蓄水能力随容重增大递减,比水容量也随容重增大递减,土壤饱和含水量、毛管断裂含水量、田间持水量、凋萎系数、有效水含量、易效水含量、迟效水含量与容重分别呈幂函数、对数、指数、指数、指数、幂函数、对数关系。

When the reconstructed wind approachs the original one, it means the partitioning process is successful and the calculated stream function and velocity potential is accurate.

目前,对风场进行有效分解的方法是对有限区域里的流函数和速度势进行求解,然后对流函数和速度势求导得到对应的无辐散风与无旋转风。

Based on these, an improving μ-synthesis is presented, with which the high-purity distillation is designed well. 2. The robust performance problem of MIMO plant is explained with the plant direction angle, which shows that the robust performance varies with different input uncertainties and the μ-synthesis should be applied correctly according to the uncertainty structure. 3. Condition number and bandwidth are the important items for robust performance design in MIMO system. The H〓 two-block problems can not deal with the robust performance design of MIMO system because of the condition number cancellation. A general μ-synthesis procedure for MIMO system with uncertainties is presented. 4. For the SISO system, the object function in robust performance is amplified by at most 〓 than that of H〓 two-block problems in value: So the robust performance of SISO system can be done with the H〓 two-block problems to avoid the complicated μ-synthesis procedure. 5. All the conclusions and methods presented in this paper are demonstrated by some typical design examples.

从而形成一种改进的μ综合方去,并对精馏塔病态对象进行了鲁棒性能设计,得到令人满意的结果;(2)利用对象的方向角解释了MIMO对象鲁棒性能设计出现问题的原因,并提出不同输入摄动形式下系统的鲁棒性能问题也并不相同,因此利用μ综合处理鲁棒性能设计时,应根据不同的摄动情况采用不同的结构进行设计:(3)条件数问题和带宽问题是MIMO系统鲁棒性能设计的两个主要问题,指出由于条件数对消的存在使得一般H〓两块问题无法处理MIMO系统的鲁棒性能设计,而μ综合方法则是处理MIMO系统鲁棒性能设计的有效方法,并给出了其处理MIMO系统鲁棒性能设计的一般性方法;(4)提出对于SISO系统H〓两块问题(S/T问题、S/KS问题)的设计指标函数与鲁棒性能设计的μ指标函数在数值上最大差〓倍,因此对于一般SISO系统的鲁棒性能设计可以简单地用一般的H〓的两块问题处理,而避免μ综合设计的复杂过程;(5)本文中提出的结论和算法都利用H〓/μ发展中的典型例子:Doyle-Stein问题,Safonov的战斗机模型,精馏塔对象等进行了设计验证。

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