Modeling and simulation of glycosaminoglycan/protein interactions (A07)

• Subject Area: Bioinformatics and Theoretical Biology ; Biomaterials
• Term: from 2009 to 2021
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 59307082

M.T. Pisabarro performs molecular modeling of GAG/protein interactions. Theoretical models are created to analyze conformational characteristics of GAG derivatives, the localization of their binding sites, relevant protein target structures as well as interaction sites with their receptors. For this purpose, CXCL12, BMP-2/-4, chordin/noggin, IL-1β, sclerostin / DKK-1 and their respective receptors will be studied. Moreover, computer-assisted ligand design is used to create rationally engineered (re) GAG.

• DFG Programme: CRC/Transregios
• Subproject of: TRR 67: Functional Biomaterials for Controlling Healing Processes in Bone und Skin - From Material Science to Clinical Application
• Applicant Institution: Universität Leipzig
• Project Head: Professorin Dr. María Teresa Pisabarro