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

Rajan Chaudhari, Zhijun Li
2015 BMC Research Notes  
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
more » ... ecules 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.
doi:10.1186/s13104-015-1483-3 pmid:26429562 pmcid:PMC4590260 fatcat:htrqquh7zvg5dcjelr5p5n5hxu