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首页> 外文期刊>Nucleic Acids Research >MolSurfer: a macromolecular interface navigator
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MolSurfer: a macromolecular interface navigator

机译:MolSurfer:高分子界面导航仪

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摘要

We describe the current status of the Java molecular graphics tool, MolSurfer. MolSurfer has been designed to assist the analysis of the structures and physico-chemical properties of macromolecular interfaces. MolSurfer provides a coupled display of two-dimensional (2D) maps of the interfaces generated with the ADS software and a three-dimensional (3D) view of the macromolecular structure in the Java PDB viewer, WebMol. The interfaces are analytically defined and properties such as electrostatic potential or hydrophobicity are projected on to them. MolSurfer has been applied previously to analyze a set of 39 protein-protein complexes, with structures available from the Protein Data Bank (PDB). A new application, described here, is the visualization of 75 interfaces in structures of protein-DNA and protein-RNA complexes. Another new feature is that the MolSurfer web server is now able to compute and map Poisson-Boltzmann electrostatic potentials of macromolecules onto interfaces. The MolSurfer web server is available at http://projects.villa-bosch.de/mcm/software/molsurfer.
机译:我们描述了Java分子图形工具MolSurfer的当前状态。 MolSurfer旨在协助分析大分子界面的结构和理化性质。 MolSurfer在Java PDB查看器WebMol中提供了用ADS软件生成的界面的二维(2D)映射和大分子结构的三维(3D)视图的耦合显示。通过分析确定界面,并向其投射诸如静电势或疏水性之类的属性。 MolSurfer先前已应用于分析39种蛋白质-蛋白质复合物,其结构可从蛋白质数据库(PDB)获得。这里描述的一项新应用是可视化蛋白质-DNA和蛋白质-RNA复合物结构中的75个界面。另一个新功能是,MolSurfer Web服务器现在可以计算大分子的泊松-玻尔兹曼静电势并将其映射到界面上。 MolSurfer Web服务器可从http://projects.villa-bosch.de/mcm/software/molsurfer获得。

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