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PepBuild:一个用于构建肽/蛋白质结构数据的网络服务器。

PepBuild: a web server for building structure data of peptides/proteins.

作者信息

Singh Balvinder

机构信息

Bioinformatics, Institute of Microbial Technology, Sector 39A, Chandigarh 160036, India.

出版信息

Nucleic Acids Res. 2004 Jul 1;32(Web Server issue):W559-61. doi: 10.1093/nar/gkh472.

Abstract

PepBuild, a web server, will aid in designing and building a capped or uncapped peptide/protein with known secondary and tertiary structure. The user can build a peptide/protein by choosing the required amino acid residue with regular secondary structure. The torsional angles can be supplied by the user, if desired. The server also allows the user to add relevant protecting groups at the N- and/or C-terminal of the peptide. The amino acid side chains of the designed peptide are optimized using rotameric libraries. Finally, the server provides the option of displaying the result or downloading the complete file in PDB (Protein Data Bank) format. This PDB file can later be used as an input for various molecular simulation programs or for graphical display. The web server is available at http://www.imtech.res.in/bvs/pepbuild/.

摘要

PepBuild是一个网络服务器,它将有助于设计和构建具有已知二级和三级结构的带帽或不带帽的肽/蛋白质。用户可以通过选择具有规则二级结构的所需氨基酸残基来构建肽/蛋白质。如果需要,扭转角可以由用户提供。该服务器还允许用户在肽的N端和/或C端添加相关的保护基团。使用旋转异构体文库对设计肽的氨基酸侧链进行优化。最后,服务器提供显示结果或以PDB(蛋白质数据库)格式下载完整文件的选项。这个PDB文件稍后可以用作各种分子模拟程序的输入或用于图形显示。该网络服务器可在http://www.imtech.res.in/bvs/pepbuild/获取。

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