RNA二级结构自动绘图系统的构建

给出了带假结的RNA二级结构自动绘画系统以及自由能的处理．用软件实现此方法可以把以碱基匹配表示的RNA分子二级结构自动转化为图形表示．     

虎纹捕鸟蛛神经毒素Huwentoxin-Ⅰ的二级结构研究

Huwentoxin-Ⅰ是一种小分子量的多肽类毒素,它能阻断脊椎动物的神经肌肉接头传递。该毒素分子内含33个氨基酸残基,有三对二硫键。本文报道用圆二色性光谱分析法对该毒素二级结构的测定和分析,并用Creenfield等介绍的方法计算其二级结构中各种成分的含量。结果表明,此多肽分子中,α螺旋约占22—28％,β折叠约占22—35％,而β转角和无规卷曲约占41—49％。实验还表明,此毒素在不同pH条件下的二级结构均比较稳定,将它加热到80℃保温20分钟后再测定其CD光谱,其二级结构成分变化不大。用各种不同的方法对其二级结构进行了预测,结果表明该分子一级结构序列N-末端有一小段β折叠,C-末端有一段α螺旋,分子中部的大部分残基为β转角和无规卷曲构象。     

远程教学中ChemOffice的功能和应用研究

ChemOffice软件是一个集成化学软件系统,具有化学计算、化学分析和化学建模等实用功能,其中的Chem3D的特点是在分子和原子的水平上模拟和分析分子的立体构象,可用于设计化学模型;ChemDraw可绘制和编辑高质量的化学结构图,识别和显示立体结构。     

基于ActiveX技术的面向结构图的系统仿真环境开发

利用VB面向对象和事件驱动的特点,应用ActiveX技术在VB6.0环境下实现了绘制系统结构图及系统仿真的环境开发,介绍了ActiveX控件的设计、动态加载、结构图的绘制及系统仿真的实现过程.此软件可应用于控制理论的计算机辅助教学和控制系统的计算机辅助设计.     

计算最大堆迭的RNA二级结构预测算法

RNA二级结构预测用于蛋白质功能分析，在生物信息学研究中具有重要意义．提出了一个时间复杂度为O（n^2）的基于Greedy算法思想的算法．基于“堆迭结构相对稳定”的RNA分子结构特征，算法思想为计算具有最多堆迭的RNA二级结构．用VC＋＋编程实现了该算法，采用PseudoBase的RNA分子片段进行了计算实验，结果表明该算法具有良好的准确度．该算法可预测RNA分子的嵌套二级结构和伪结点一级结构．     

虎纹捕鸟蛛神经毒素Huwentoxin—I的二级结构研究

Ｈｕｗｅｎｔｏｘｉｎ－Ｉ是一种小分子量的多肽类毒素，它能阻断脊椎动物的神经肌肉接头接头传递。该毒素分子内含３３个氨基酸残基，有三对二硫键。本文报道用圆二色性光谱分析法对该毒素二级结构的测定和分析，并用Ｃｒｅｅｎｆｉｅｌｄ等介绍了方法计算其二级结构中各种成分的含量。结果表明，此多肽分子中，α螺旋约占２２－２８％，β折叠约占２２－３５％，而β转角和无规卷曲约占４１－４９％。实验还表明，此毒素砂同ｐＨ条     

应用离散增量方法识别人类 MicroRNAs 前体序列

MicroRNAs(miRNAs)是一类约为21-26个碱基长度的非编码单链RNA.根据MicroRNAs前体序列(pre-miRNAs)的碱基保守特征和二级结构特征,应用多样性增量方法(ID方法)和支持向量机(SVM)分析,以内含子区(intron)、外显子区(exon)、基因间区(intergenic)三类序列分别作为负集,对人类的pre-miRNAs进行分析和预测.当以intergenic区和intron区序列为训练负集时,其以二级结构三联体、四联体和五联体(3-mer、4-mer、5-mer)为特征参量的敏感性、特异性、整体精度都在89%以上,相关系数在0.7以上.     

粗糙集算法在预测RNA保守功能二级结构中的应用

提出了一种预测RNA保守功能二级结构的粗糙集算法.使用粗糙集工具Rosetta软件,在保守结构预测过程的数据挖掘模块中,应用经过整理和离散化的RNA备择碱基对数据生成规则确定出将要出现在同源RNA序列的保守二级结构中的碱基对.将此算法应用在对爱滋病病原体HIV病毒RNA中REV应答元件单元的保守二级结构预测的结果表明,与传统的非数据挖掘算法相比,使用了这种机器学习算法的粗糙集预测方法,使得保守功能结构与野生型结构更加相似,重要的功能结构分支更加清晰明确.     

偏序结构图的一种计算机生成算法

偏序结构图是为了解决形式概念分析和概念格中的诸如概念计算繁琐、连线交叉严重等不足,在大数据应用的紧迫趋势下被提出的.图形的手工绘制工作存在繁琐、重复、效率低下等缺点,亟需设计出快速、有效的偏序结构图计算机自动算法和软件工具.本文首先简单介绍偏序结构图的构图原理;其次,详细说明了该种图形的一些基本定义及生成方法;最后,简单扼要地说明偏序结构图的计算机实现,并用经典的形式背景生成相应的偏序结构图来说明该软件工具的工作流程.     

纹理映射体绘制的Java 3D实现

目的设计实现一个虚拟心脏系统原型,重点讨论其中的基于纹理映射的体绘制方法,给出用Java 3D软件方法实现纹理映射体绘制。方法获取CT心脏断层数据,对其进行预处理,在此基础上进行图像的滤波、分割、配准及裁剪,最后实现基于纹理映射体绘制的三维重构。结果用Java Java 3D实现了虚拟心脏系统原型中基于纹理映射的体绘制。结论采用软件方法(Java3D)实现了纹理映射硬件的功能,由于不需要三维纹理映射硬件的支持,降低了硬件成本。     

VACAI辅助教学软件和它的技术实现

本文介绍了ＶＡＸ－ｌｌ汇编语言辅助教学软件ＶＡＣＡＩ的设计思想、系统组成及系统编程。该软件在ＶＡＸ／ＶＭＳ环境下以Ｃ语言为开发工具，采用多层次目录树形结构组织数据，以动态演示编辑器建造各种演示画面，用下拉式菜单及多窗口覆盖技术设计用户界面，将指令和程序执行过程形象而直观地展示在屏幕上。为辅助教学软件的研制提供了一条良好的途径。     

Role of RNA transcripts in replication incompatibility and copy number control in antibiotic resistance plasmid derivatives

The genes required for autonomous replication and incompatibility in the antibiotic resistance plasmids R100 and R1 have been located within a 2.5-kilobase region of the 90-kilobase genome, within which the incompatibility gene occupies a 1.3-kilobase region excluding the replication origin. We now report that three RNA species are synthesized in vitro from the 2.5-kilobase region, which R100 and R1 have in common. One, a long RNA molecule which is transcribed in the direction of DNA replication, probably acts as a messenger or a protein required for plasmid replication. The second RNA species, only 91 nucleotides long, is transcribed in the opposite direction, from a region of the DNA entirely contained within the first and known to specify incompatibility and copy control functions. The third RNA species, 150 bases long, is transcribed from a region including the replication origin; it may be a primer of DNA synthesis or, in conjunction with the second of the three RNA species, an influence in the control of replication.     

平立面不规则框架结构抗震问题探讨

应用结构计算通用软件，对一平立面均不规则的L形框架结构进行分析计算。通过对斜交L形结构以及正交L形结构设抗震缝和不设抗震缝两种情况在不同抗震设防烈度下的计算分析，得到相应各种情况下结构构件内力。通过对比分析，对平立面均不规则的框架结构的抗震缝设置及结构内力计算等问题进行了探讨，为平立面均不规则建筑的结构设计提供参考。     

Crystal structure of an RNA double helix incorporating a track of non-Watson-Crick base pairs

The crystal structure of the RNA dodecamer duplex (r-GGACUUCGGUCC)2 has been determined. The dodecamers stack end-to-end in the crystal, simulating infinite A-form helices with only a break in the phosphodiester chain. These infinite helices are held together in the crystal by hydrogen bonding between ribose hydroxyl groups and a variety of donors and acceptors. The four noncomplementary nucleotides in the middle of the sequence did not form an internal loop, but rather a highly regular double-helix incorporating the non-Watson-Crick base pairs, G.U and U.C. This is the first direct observation of a U.C (or T.C) base pair in a crystal structure. The U.C pairs each form only a single base-base hydrogen bond, but are stabilized by a water molecule which bridges between the ring nitrogens and by four waters in the major groove which link the bases and phosphates. The lack of distortion introduced in the double helix by the U.C mismatch may explain its low efficiency of repair in DNA. The G.U wobble pair is also stabilized by a minor-groove water which bridges between the unpaired guanine amino and the ribose hydroxyl of the uracil. This structure emphasizes the importance of specific hydrogen bonding between not only the nucleotide bases, but also the ribose hydroxyls, phosphate oxygens and tightly bound waters in stabilization of the intramolecular and intermolecular structures of double helical RNA.     

Molecular dynamics simulation of RNA pseudoknot unfolding pathway

Many biological functions of RNA molecules are related to their pseudoknot structures. It is significant for predicting the structure and function of RNA that learning about the stability and the process of RNA pseudoknot folding and unfolding. The structural features of mouse mammary tumor virus (MMTV) RNA pseudoknot in different ion concentration, the unfolding process of the RNA pseudoknot, and the two hairpin helices that constitute the RNA pseudoknot were studied with all atom molecule dynamics simulation method in this paper. We found that the higher cation concentration can cause structure of the RNA molecules more stable, and ions played an indispensable role in keeping the structure of RNA molecules stable; the unfolding process of hairpin structure was corresponding to the antiprocess of its folding process. The main pathway of pseudoknot unfolding was that the inner base pair opened first, and then, the two helices, which formed the RNA pseudoknot opened decussately, while the folding pathway of the RNA pseudoknot was a helix folding after formation of the other helix. Therefore, the unfolding process of RNA pseudoknot is different from the antiprocess of its folding process, and the unfolding process of each helix in the RNA pseudoknot is similar to the hairpin structure’s unfolding process, which means that both are the unzipping process.     

最优钢筋砼井式楼盖的设计

本文对钢筋砼井式楼盖常用的几种设计方法进行比较,在此基础上,按现行规范的要求提出一种较完整的优化设计数学模型。除考虑到梁、板的共同工作外,还计及了结构的抗扭性能。 在内力分析阶段采用有限单元法计算,在截面设计阶段采用文[6]的准则法计算,同时还用复合形法逐步进行校对。对于一般的钢筋砼楼盖使用本文的方法只需二至三个选代循环,占机时1～2分钟左右。 文末列举了一个工程设计实例。