Welcome
Welcome to the Computational Structural Biology Research Group at Gebze Technical University. We are part of the Department of Bioengineering and affiliated with the Computational Systems Biology Research Group.
We use computational methods to understand how protein structure shapes function—and how to intervene when things go wrong. Our work combines molecular dynamics simulations, molecular docking, virtual screening, and protein structure network analysis to study allosteric mechanisms, residue communication pathways, and structure-function relationships in biomedically important proteins as well as to discover novel inhibitors of them.
Our research spans three main areas:
- Immunoinformatics — Structure and dynamics of MHC molecules, peptide-MHC stability, T-cell receptor interactions, and epitope prediction for immunotherapy applications
- Small-Molecule Drug Discovery — Identification of inhibitors for targets including ERK5, androgen receptor, and bacterial efflux pumps (NorA, BmrA), with emphasis on allosteric sites, polypharmacology, and drug repurposing
- Research Software Development — Tools for the scientific community, including gRINN
Although we are a purely computational research group, we frequently collaborate with both computational and experimental groups to bridge computational predictions with wet-lab validation and to tackle complex problems from multiple angles.
Interested in collaboration or joining our group? Contact Dr. Onur Serçinoğlu at osercinoglu@gtu.edu.tr.