Research Informatics plays a core role within the SGC. We provide support and expertise for all aspects of the SGC’s work using a wide range of methods. The maintenance and enhancement of the SGC’s target portfolio is enabled using bioinformatics techniques. Cheminformatics tools such as Molsoft's Molcart, Spotfire and Knime are used to interpret structure activity relationship and progress chemical series towards "SGC chemical probes". Computational chemistry methodologies are applied to analyze in depth protein structures (Molsoft's ICM, CCG's MOE, Schrodinger's SiteMap), to dock small molecules and virtually screen chemical libraries (Schrodinger's GLIDE, Molsoft's ICM), and accelerate probe development in our chemical biology programmes.
Laboratory Information Management Systems such as an Electronic Lab Notebook and intranet data navigation tools developed and implemented by the Research Informatics teams allow SGC scientists to work efficiently and in a paper-less manner. We also develop novel ways to aggregate and disseminate data and its interpretations. Our interactive ChromoHub resource provides a way of annotating phylogenetic trees of protein families involved in epigenetic mechanisms with data extracted from structural, biological and chemical databases. With iSee, we have pioneered interactive three-dimensional annotation of proteins structures: dynamic views are linked into text allowing the reader to not only see but also directly interact with the protein structure as the author imagined it. These platforms allow the SGC to reach out to the wider scientific community, helping to make our science as accessible as possible.