Dataset Information
PyMine: a PyMOL plugin to integrate and visualize data for drug discovery.
Ontology highlight
ABSTRACT: 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.
SUBMITTER: Chaudhari R
PROVIDER: S-EPMC4590260 | biostudies-literature | 2015 Oct
REPOSITORIES: biostudies-literature
Publications
PyMine: a PyMOL plugin to integrate and visualize data for drug discovery.
BMC research notes 20151001
<h4>Background</h4>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.<h4>Findings</h4>To overcome this challenge, we developed PyMine, a PyMOL plugin that retrieves chemical, structural, pathway and other related biological data of ...[more]