Multistructural hot spot characterization with FTProd.
Multistructural hot spot characterization with FTProd.
复制标题
使用 FTProd 进行多结构热点表征。
DOI：
10.1093/bioinformatics/bts689
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发表时间：
2013
期刊：
影响因子：
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通讯作者：
Amaro,RommieE
中科院分区：
文献类型：
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作者：
Votapka,Lane;Amaro,RommieE
Summary:Computational solvent fragment mapping is typically performed on a single structure of a protein to identify and characterize binding sites. However, the simultaneous analysis of several mutant structures or frames of a molecular dynamics simulation may provide more realistic detail about the behavior of the sites. Here we present a plug-in for Visual Molecular Dynamics that streamlines the comparison of the binding configurations of several FTMAP-generated structures.Availability:FTProd is a freely available and open-source plug-in that can be downloaded at http://amarolab.ucsd.edu/ftprodContact:ramaro@ucsd.eduSupplementary Information:Supplementary data are available atBioinformaticsonline
