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Python 在生物研究中的应用浅谈 Q Chung
第一篇 目录 蛋白质结构中 python 的应用 基因测序中 python 的应用  复杂科学计算中 python 的应用  模拟生物中 python 的应用  4 1 2 3 四个方面粗浅的总结与现实问题的提出
蛋白质结构分析相关 Py 模块 STRUCTURAL BIOINFORMATICS  结构生物信息学 1 、 PConPy 用于生成二维蛋白质包括空间、距离、氢键分析 2 、 PyRosetta 自定义的结构预测和设计算法,设计实施和示范蛋白质对接算法,蛋白质折叠,循环模型。 3 、 Biskit 一个 py 库,分析大分子结构,分子动力学和蛋白质复合物 4 、 PROVAT 一种蛋白质结构的 Voronoi 镶嵌和复合物的分析工具。
蛋白质结构分析相关 Py 模块 STRUCTURAL BIOINFORMATICS  结构生物信息学 5 、 ProDy 同源的蛋白质,其突变和序列抑制剂分析 6 、 PyETV 一个查看,分析和预测其操纵的重要蛋白质的结构的 pymol 插件 7 、 GimmeMotifs 一个为 ChIP 芯片做管道分析的包, python 实现,可是运行于 linux 下 8 、 PIANA 蛋白质的相互作用和网络分析,预测凝胶蛋白电泳的相互作用,这个非常有用
蛋白质结构与 python 应用 ,[object Object],[object Object],[object Object],一个不成熟的案例
下游检测产品形式、原理 早早孕试纸条 其原理与结构 受限制于这两条 红色 线上的原料
下游检测关键性要求 需要提高的关键性指标 抗体灵敏度的提高 样本假阳性的降低
上游免疫学原料的优化 小分子单克隆抗体 + 稳定的小分子抗原 高灵敏度 高效价 高亲和力 强特异性
问题分解:抗原表位的分析 Pymol ABC-SysBio Sarment  bio-pathfinder   目前发现能用到的一些 Py 包与插件 两化合物作用 找酶途径 预测最大分区   HMM 的分析 特定模型的选择 参数分析 抗原结构渲染动画 三维结构渲染
问题分解:抗体结构的分析 Pymol 1. 三维结构的渲染和动画软件。高品质的分子三维结构,适合抗原与抗体的研究。 2 所有正式发表的科学论文中的蛋白质结构图像中,有四分之一是使用 Pymol 来制作的。 3.Win 下需要 Python  、 CygWin  、 C++ 、 OpenGL 等支持。 抗原结构渲染与动画 三维结构渲染
问题分解:抗体结构的分析 结构与识别
可能的解决方案 可能解决方案 抗体筛选 Py 写筛选程序, GUI 化的实验室桌面软件辅助筛选(缺乏) 抗原构建 通过 Py 一部分程序(非常缺乏)对抗原结构的分析,合成优异抗原 质量的提升 最终实现灵敏度的提高、假阳性的降低、特异性高、效价高 免疫优化 Py 分析免疫周期中注射量、佐剂量等长期数据,优化免疫方式
基因组相关 Py 模块(探索中) GENOME ANALYSIS  基因组分析 1 、 Ruffus   一个轻量级的运行计算管道方面的模块 2 、 GenomeDiagram 用于生物序列的可视化的大型基因组,比较基因组 3 、 tCal 基于热力学模型的转录概率计算器,用户可以使用 tCal 建立转录单位,转录或计算概率,或构建基因调控网络 SBML 模型的研究 4 、 Easyfig 一个可视化的基因组比较, BLAST 的比较基因组之间的多个地区,从单基因到整个原核生物染色体,有可视化和交互功能 5 、 PYCHEM 广泛适用于后基因组学科
基因测序相关 Py 模块(探索中) sequence analysis  序列分析 1 、 Biopython  一个免费的计算分子生物学和生物信息学工具,主要 BLAST ,知名度最高 2 、 BlastAlign 一个使用 BLAST 分析核苷酸序列的包 3 、 TAMO 一个灵活的,面向对象的利用 DNA 转录调控序列图案分析框架
基因测序相关 Py 模块(探索中) 较为知名的 Biopython
基因测序相关 Py 模块(探索中) 较为知名的 Biopython
科学计算相关 Py 模块(探索中) Numpy- 快速处理数据 Scipy- 数值计算库 Sympy- 符号运算帮手 M atplotib — 绘制图和表
科学计算相关 Py 模块(探索中)
生物模拟相关 Py 模块(探索中) PHYLOGENETICS  系统发生学 +SYSTEMS BIOLOGY  系统生物学 1 、 PySCeS  蜂窝系统建模 2 、 PyNAST 基于序列的微生物生态群落分析 3 、 DendroPy 3.7.1  阅读,写作,模拟,处理和(系统发育)和人物进化树的操作:系统发育和进化的一个计算 Python 库。
在生物模拟系统中的应用 主要用于对生物细胞等大型复杂系统进行建模,模拟和分析,技术路线是在硅片上模拟重建生物现象,能够精细地模拟全细胞所必要的理论、技术和软件平台开发支持的国际研究项目。 从 E-Cell 3.x 开始还提供了  Python 编程语言的标准 。 E-Cell 3  核心模拟软件是一组 Python  语言解释器的扩展模块,用 c++/c/python 写的。利用 E-Cell 模型描述语言 EML ( Model description Language), XML 的子集 , 描述模型。为了能够跨平台交换模型,也正在开发对系统生物学标签语言 SBML ( Systems Biology Markup Language) 的支持。  一个例子:虚拟原核细胞模型 -E-Cell
在生物模拟系统中的应用 虚拟原核细胞模型 E-Cell 硅片上的 E-cell 模型
在生物模拟系统中的应用 虚拟原核细胞模型 E-Cell 127 个基因的自维持细胞 SSC 模型
在生物模拟系统中的应用 1 、还有美国建立的真核细胞钙转运的模型 2 、 NIH 和 DOE 筹建关于细胞信息传递和生物利用能量的虚拟细胞
其他有意义的模块 CompariMotif   CARPET   PseudoPipe   Selenoprofiles   MSPocket   ARIA   SCAssign   QPRIMER   。。。。。。 其他有意义的模块
一些有意义的杂志期刊 Bioinformatics BMC Bioinformatics  Plos Comput Biol  J.Computational Biolog NUCLEIC ACIDS RES  Genome Biol  Nat Methods & Nat Biotech’ Bioinformatics Sections
Q Chung 2011.4.17 Thank You!

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Python在生物研究中的应用浅谈

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