期刊文献+

蛋白质突变仿真&虚拟筛选系统的开发和应用

The design of MVS software and its application
原文传递
导出
摘要 筛选因过程复杂造成费钱费时费力,成为定向进化的瓶颈。因此,开发出蛋白质突变仿真&虚拟筛选系统,以部分替代实验筛选,提高筛选效率,具有十分重要的意义。利用对字符串的随机替换来模仿蛋白质序列的突变,通过加权二肽组成、偏最小二乘回归等数学模型对产生的蛋白质序列进行筛选。开发的蛋白质突变仿真&虚拟筛选系统软件,可以部分替代实验筛选。软件在WINDOWS XP及DotNetFramework 2.0下运行稳定,计算速度快,拟合结果良好,基本可以满足数据处理的需要。软件的参数灵活可调,能够输出各种数据,可以方便分析验证,也可与其它软件整合进行数据分析以达到研究目的。 Screening is the bottleneck of directional evolution, as it was costly and time consuming. The present paper aims to develop a system to partly replace the experimental screening. Virtual mutation of protein sequence was achieved by random replacement of string. Screening for the bank of mutants was realized based on the weighted dipeptide and partial least-square regression model. A software written with VC#2.0 programming language was presented to realize mutation simulation & virtual screening for protein. Three types of protein mutation, named virtual directed evolution, virtual site-directed mutation, and virtual saturation mutagenesis can be achieved. The results were encouraging and could partly replace the experimental screening. With adjustable parameters, easily integrated with other software, the software we developed could run smoothly under the Windows XP system with the .NET 2.0 framework.
出处 《计算机与应用化学》 CAS CSCD 北大核心 2012年第3期365-370,共6页 Computers and Applied Chemistry
基金 国家自然科学基金资助项目(20806031) 教育部科学技术研究重点项目资助项目(211205) 福建省自然科学基金资助项目(2009J01030 2011J01221)
关键词 蛋白质工程:突变仿真 虚拟筛选 软件 protein engineering, mutation simulation,virtual screening,software
  • 相关文献

参考文献5

  • 1Darin MT and Richard AG. Why are proteins so robust to site mutations? J Mol Biol,2002,315: 479-484.
  • 2Andreas S and Jean HJ. Multiple site-directed mutagenesis of more than 10 sites simultaneously and in a single round.Anal Biochem,2004,324:285-291.
  • 3Daniel NB,Christopher AV and Stephen LM. De novo design of biocatalysts.Curr Opin Chem Biol,2002,6:125-129.
  • 4Voigt CA,Kauffman S and Wang ZG. Rational evolutionary design: the theory of in vitro protein evolution. Adv Protein Chem,2000,55:79-160.
  • 5Zhang GY and Fang BS. Discrimination of thermophilic and mesophilic proteins via pattern recognition methods. Process Biochem, 2006, 41 (3):552-556.

相关作者

内容加载中请稍等...

相关机构

内容加载中请稍等...

相关主题

内容加载中请稍等...

浏览历史

内容加载中请稍等...
;
使用帮助 返回顶部