PyMine: A PyMOL plugin to integrate and visualize data for drug discovery Bioinformatics

被引：21

作者：

Chaudhari R. ^{[1
]}

Li Z. ^{[1
]}

机构：

[1] Department of Chemistry and Biochemistry, University of the Sciences in Philadelphia, Philadelphia, 19104, PA

来源：

BMC Research Notes | / 8卷 / 1期

关键词：

Data integration; Data visualization; Drug discovery; PyMOL;

D O I：

10.1186/s13104-015-1483-3

中图分类号：

学科分类号：

摘要：

Background: Tremendous amount of chemical and biological data are being generated by various high-throughput biotechnologies that could facilitate modern drug discovery. However, lack of integration makes it very challenging for individual scientists to access and understand all the data related to a specific protein of interest. Findings: To overcome this challenge, we developed PyMine, a PyMOL plugin that retrieves chemical, structural, pathway and other related biological data of a receptor and small molecules from a variety of high-quality databases and presents them in a graphic and uniformed way. Conclusions: Developed as an interactive and user-friendly tool, PyMine can be used as a central data-hub for users to access and visualize multiple types of data and to generate new ideas intuitively for structure-based molecule design. © 2015 Chaudhari and Li.

引用

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