Glycosaminoglycan builder provides a point-and-click interface to build custom structures for all classes of glycosaminoglycans (GAGs). The web-tool is a simple interface where the user first chooses the desired class of GAG molecule and then enters the primary sequence by clicking through the set of constituent monosaccharides. The appropriate sulfation patterns commonly observed in each class of GAGs are provided as options. The tool generates 3D structures using the primary sequences and provides molecular structure files that can be utilized for visualization or as input for automated docking and molecular dynamic simulation programs.
This work has been done by the members of the Woods lab (Arunima Singh, Xingran Xue, Lachele B. Foley, Robert J. Woods).