距离几何法计算多肽溶液三维结构的初步探讨

度量矩阵距离几何法是一种计算分子三维结构的算法，初步探讨了它的理论及其实际的应用，在SGI工作站SYBYL平台上改进了原有程序，并以BUSHIIA为实例与DIANA方法和SYBYL原程序做了比较和讨论．此外，还提出一个有关三角约束的推测．

采用功率法与平均几何距离法结合计算变压器短路阻抗

对采用平均几何距离法计算变压器短路阻抗的计算方法进行了说明,并通过实测值与计算值的对比,验证了该方法的正确性。

蛋白质分子三维结构能量优化途径的选择

NMR方法是研究溶液中蛋白质的三维结构的重要手段，本文以BUSHIIA为例，对用度量矩阵距离几何法获得的初始三维结构进行了能量优化，主要探讨了蛋白质分子三维结构能量优化途径的选择问题．本文把优化过程分为三个阶段，分别采用不同的优化方式，使分子结构得到优化，对于分子量在8000左右的蛋白质而言，本方法能够获得较好符合核磁实验约束条件的分子低能构象．

建筑业可持续发展综合评价

为了实现中国建筑业尤其是陕西省建筑业的可持续发展,介绍了选择可持续发展评价指标的原则及建立可持续发展评价指标体系的方法;给出了评价指标无量纲化的处理方法以及可持续发展综合评价的空间几何距离法,并且基于陕西省建筑业的实际发展情况构建了陕西省建筑业可持续发展评价指标体系;最后运用空间几何距离法对1999～2003年陕西省建筑业发展状况进行了可持续发展的综合评价.

我国建筑业可持续发展综合评价——1999～2003年31个省(自治区、直辖市)的综合评价

阐述了实现建筑业可持续发展的重要性;给出了评价指标无量纲化的处理方法以及可持续发展综合评价的加权平均法、空间几何距离法和综合平均值法;并且基于建筑业的实际发展情况构建了建筑业可持续发展评价指标体系;最后运用加权平均法、空间几何距离法和综合平均值法对我国31个省(自治区、直辖市)的建筑业可持续发展进行了综合评价,确定了各省(自治区、直辖市)的建筑业可持续发展水平在全国的排名。

Modeling Rice rgMT as a Plant Metallothionein-Like Protein by the Distance Geometry and Homology Methods

Rice metallothionein-like protein (rgMT) shows characteristics of a three-section pattern composed of two highly conserved cysteine rich (CR) domains in the terminals and a spacer without cysteine (cys) residues in the center of the molecule. In this paper, the two CR domains and the spacer region were modeled by the distance geometry and homology methods separately. For the CR domains, twenty random models were generated for each cys combination based on the constraint conditions of CXC (C represents cys, X represents any amino acid other than cys), and CXXC motifs and a metal-sulfur chelating cluster. Four models for the N-terminal and two for C-terminal CR domain containing metal chelating structures formed by different combinations of cys were selected from 900 possible conformations. The GOR method was used to predict the secondary structure of the spacer region and its model was built by the homology method. After three parts of the protein were modeled, they were connected to form a three-dimensional structure model of rgMT. The whole conformation showed that rgMT could form two independent metal-sulfur chelating structures connected by a spacer peptide, without a structural or energy barrier for them to form two independent metal-chelating clusters just as mammalian metallothionein (MT) proteins. As all plant metallothionein-like (MT-L) proteins have the same primary structural characteristic, two CR domains connected by a spacer region, and many have the same cys arrangement pattern as rgMT, the three-dimensional structure model of rgMT will provide an important reference for the structural study of other plant MT-L proteins.

Modeling the Cysteine Rich Domain of Plant Metallothionein-like Protein

With the progress of plant genome research, more than 50 plant metallothionein_like (MT_L) genes have been found, but only several MT_L proteins have been detected and no experimental structural information for MT_L proteins has been reported so far. Since detailed knowledge of the protein tertiary structure is required to understand its biological function, a method is needed to determine the structure of these proteins. In this study, the structural data of known mammal MT was used to determine the interatomic distance constraints of the CXC and CXXC motifs and the metal_sulfur chelating cluster. Then several possible MT conformations were predicted using a distance geometry algorithm. The statistical analysis was used to select those with much lower target function values and lower conformation energies as the predicted tertiary structural models of the cysteine_rich (CR) domains of these proteins. A suitable prediction method for modeling the CR domain of the plant MT_L protein was constructed. The accurately predicted result for the known structure of an MT protein from blue crab suggests that this method is practicable. The tertiary structures of CR domains of rape MT_L protein LSC54 was then modeled with this method.

基于CT的辽宁汉族不同垂直骨面型成人下颌骨测量与分析

目的:通过CT三维重建对中国辽宁汉族成人下颌骨进行测量,分析不同垂直骨面型之间的差异。方法:使用VG Studio 2.2 MAX软件对106例(低角29例、均角47例、高角30例)辽宁汉族成人CT扫描数据进行三维颅骨提取,并在三维颅骨模型上测量下颌骨的三维坐标;使用WinEDMA1.0.1软件对不同垂直骨面型成人的下颌骨做形状差异性分析并对差异进行bootstrap非参数检验。结果:欧几里得几何距离矩阵分析显示,辽宁不同垂直骨面型汉族成人的下颌骨按高角、均角、低角的顺序,下颌升支相对与整个下颌体由短变长,而下颌骨水平部的垂直高度由长变短。其主要差异集中在下颌骨升支,差异均有统计学意义。结论:辽宁地区不同垂直骨面型成人的下颌骨形态差异显著,在正畸治疗方案设计中应充分考虑该差异性。

基于EDMA的辽宁汉族成人头面部指数的测量研究

目的通过对颅面部CT三维重建后的头面部指数进行测量计算,分析辽宁汉族成年人的简化面部表型特征及男女性别差异。方法随机选择100名辽宁省汉族成年人(其中男:40人,女:60人),通过对其CT数据进行三维重建,在VG Studio3.2MAX软件中进行坐标点的几何形态学测量,用欧式距离矩阵分析法(euclidean distance matrix analysis,EDMA)得出相应头面部指数,分析面部表型并比较男女头面部指数的差异性。结果本研究通过对男女头面部指数进行欧式距离矩阵分析显示,辽宁成人汉族无论男女均以超狭面型为主,鼻指数大多表现为以狭鼻型男性的整体头面部指数大于女性(P<0.05),在FM矩阵中线段比值均大于1.05。结论辽宁汉族成年人具有超狭面型、狭鼻型或中鼻型,且有男性面部总体轮廓大于女性的特点。为人体解剖学颅面部形态的研究、法医的个体识别推断提供基础数据和理论研究。

2D registration based on contour matching for partial matching images

The mean Hausdorff distance, though highly applicable in image registration, does not work well on partial matching images. An improvement upon traditional Hausdorff-distance-based image registration method is proposed, which consists of the following two aspects. One is to estimate transformation parameters between two images from the distributions of geometric property differences instead of establishing explicit feature correspondences. This procedure is treated as the pre-registration. The other aspect is that mean Hausdorff distance computation is replaced with the analysis of the second difference of generalized Hausdorff distance so as to eliminate the redundant points. Experimental results show that our registration method outperforms the method based on mean Hausdorff distance. The registration errors are noticeably reduced in the partial matching images.

泛珠三角九省区建筑业竞争力评价与分析

以全国及泛珠三角内地9省区(除港、澳)建筑业竞争力为研究对象,综合资源、过程、效益、环境四个方面对竞争力构建评价体系,采用基于均方差权值决策法和欧氏几何距离法相结合的复合模型对其竞争力的排名位次进行分析,结果发现,在此区域内广东、海南、湖南建筑业的综合竞争实力较高,而广西、四川、云南、江西、贵州五个省份的建筑业竞争力水平相对较弱,最后对泛珠三角地区建筑业今后的发展提出建议。