Abstract
Glycoinformatics is an emerging discipline at the interface of glycobiology and computer sciences aiming to develop algorithms, software tools and databases to assist in the processing, storage and mining of glycomics data. These encompass structures and bio-recognition systems for glycans: the carbohydrate chains of glycoproteins, glycolipids proteoglycans, and of other types of polysaccharides of eukaryotes and prokaryotes. Although a large variety of tools, databases and web applications have been developed over the last two decades, most of these resources are isolated and, unlike those established for proteins, they do not support the exchange of data between each other.
Just recently, international initiatives have been started to overcome the isolation of these resources in an attempt to create a general and easily accessible glycoinformatics infrastructure, and to allow the analysis and processing of data using several resources. These initiatives include the group for standardizing the Minimum Information Required for A Glycomics Experiment (MIRAGE), the Resource Description Framework group for glycomics (GlycoRDF) aiming to define a standard glycomics exchange format, and a collaborative initiative for the development of a central registry for glycan structures (glyTouCan).
Our glycoinformatics group at the Complex Carbohydrate Research Center is part of these initiatives, connecting our own computer sciences resources with tools and databases from other groups. One of our main projects is GRITS toolbox, a modular software platform for the processing and analysis of glycomics data. The current version focuses on the interpretation of high throughput mass spectrometric (MS) data and enables the organization, processing, interpretation and storage of these data. In addition to the MS data and the annotation information, the program handles sample and experimental meta data allowing the storage of self-consistent descriptions of the experiment. The modular architecture of the GRITS toolbox allows third party extension with new functionalities by reusing existing functionality to reduce development time. I will present general overview of the current state of glycoinformatics and will also highlight the benefits of collaborative projects and international collaborations with the GRITS toolbox as an example.