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 methodological toolkit spans classical molecular dynamics simulations, molecular docking, virtual screening, and protein structure network analysis, complemented by machine learning-based approaches.
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; this includes deep learning-based generation of MHC conformational ensembles and machine learning models for peptide-MHC molecular stability prediction
- Small-Molecule Drug Discovery — Allosteric drug discovery targeting kinases, alongside proteome-wide strategies that integrate systems biology methods and polypharmacology to identify multi-target therapeutic opportunities, with a broader emphasis on 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.