Computational Structural Biology Research Group at GTU

Amarajeewa, A. W. P., Özcan, A., Mukhtiar, A., Ren, X., Wang, Q., Ozbek, P., Garstka, M. A. G., Serçinoğlu, O. (2024). Polymorphism in F pocket affects peptide selection and stability of type 1 diabetes‐associated HLA‐B39 allotypes. Eur. J. Immunol.. 10.1002/eji.202350683

Işık, E. B., Serçinoğlu, O. (2024). Unraveling the ligand specificity and promiscuity of the Staphylococcus aureus NorA efflux pump: a computational study. J. Biomol. Struct. Dyn.. 10.1080/07391102.2024.2326670

Kim, Y., Bereketoglu, C., Serçinoğlu, O., Pradhan, A., (2024). In Vitro, In Vivo, and In Silico Analysis of Pyraclostrobin and Cyprodinil and Their Mixture Reveal New Targets and Signaling Mechanisms. Chem. Res. Toxicol.. 10.1021/acs.chemrestox.3c00371

Üner, G., Bedir, E., Serçinoğlu, O., Ballar Kırmızıbayrak, P. (2022). Non-apoptotic cell death induction via sapogenin based supramolecular particles. Scientific Reports (2022). 10.1038/s41598-022-17977-4

Bingöl, E. N., Serçinoğlu, O., Ozbek, P. (2021). Unraveling the Allosteric Communication Mechanisms in T-Cell Receptor–Peptide-Loaded Major Histocompatibility Complex Dynamics Using Molecular Dynamics Simulations: An Approach Based on Dynamic Cross Correlation Maps and Residue Interaction Energy Calculations. J. Chem. Inf. Model.. 10.1021/acs.jcim.1c00338

Serçinoğlu, O., Bereketoglu, C., Olsson P. E., Pradhan, A. (2021). In silico and in vitro assessment of androgen receptor antagonists. Comput. Biol. Chem.. 10.1016/j.compbiolchem.2021.107490

Serçinoğlu, O., Senturk, D., Altinisik Kaya, F. E., Avci, F. G., Frlan, R., Tomašič, T., Ozbek, P., Orelle, C., Jault, JM., Sarıyar Akbulut, B. (2020). Identification of novel inhibitors of the ABC transporter BmrA. Bioorganic Chemistry. 10.1016/j.bioorg.2020.104452

Serçinoğlu, O., Ozbek, P. (2020). Sequence-structure-function relationships in class I MHC: A local frustration perspective. PLoS One 15, e0232849 (2020). 10.1371/journal.pone.0232849

Bunsuz, A., Serçinoğlu, O., Ozbek, P. (2020). Computational investigation of peptide binding stabilities of HLA-B27 and HLA-B44 alleles. Comput. Biol. Chem. 84, 107195. 10.1016/j.compbiolchem.2019.107195

Aydınkal, R. M., Serçinoğlu, O., Ozbek, P. (2019). ProSNEx: a web-based application for exploration and analysis of protein structures using network formalism. Nucleic Acids Res. 47, W471–W476. 10.1093/nar/gkz390

Bingöl, E. N., Serçinoğlu, O., Ozbek, P. (2019). How do mutations and allosteric inhibitors modulate caspase-7 activity? A molecular dynamics study. J. Biomol. Struct. Dyn. 37, 3456–3466. 10.1080/07391102.2018.1517611

Serçinoǧlu, O., Ozbek, P. (2018). gRINN: A tool for calculation of residue interaction energies and protein energy network analysis of molecular dynamics simulations. Nucleic Acids Res. 46, W554–W562 (2018). 10.1093/nar/gky381

Serçinoğlu, O., Ozbek, P. (2017). Computational characterization of residue couplings and micropolymorphism-induced changes in the dynamics of two differentially disease-associated human MHC class-I alleles. J. Biomol. Struct. Dyn. 35, 1–18 (2018). 10.1080/07391102.2017.1295884

Serçinoğlu, O., Özcan, G., Kutlu Kabaş, Z., Ozbek, P. (2016). A computational docking study on the pH dependence of peptide binding to HLA-B27 sub-types differentially associated with ankylosing spondylitis. J. Comput. Aided Mol. Des. 30, 775–791. 10.1007/s10822-016-9934-z