Title: Toward Computational Glycobiology
Time: 2:00 p.m.
Location: MRB 202 Conference Room
Presenter: Professor Wonpil Im (Department of Bioengineering Professor and Presidential Endowed Chair in Health, Science and Engineering Lehigh University, Bethlehem, Pennsylvania)
In this talk, I would like to share our ongoing efforts toward computational (structural) glycobiology in terms of (1) glycan structure and dynamics in glycoproteins, (2) roles of glycans as ligands in protein-glycan and protein-protein interactions, (3) glycolipid structure and dynamics, and (4) bacterial outer membranes containing lipopolysaccharides and their interactions with membrane proteins. We have developed various tools available at GlycanStructure.ORG (http://www.glycanstructure.org): Glycan Reader for automatic detection and annotation of carbohydrates, their chemical modifications, and glycosidic linkages in PDB files, Glycan Fragment DB for finding carbohydrate fragment structures in the PDB and torsion angle distributions of specific glycosidic linkages of a query glycan structure, Glycan Modeler for modeling glycan structures from its sequence, and GS-align for glycan structure alignment and similarity measurement. A PDB survey study of N-glycan structures and protein-glycan interactions in the PDB is also presented for modeling glycan structures and protein-glycan interactions.