Sabanci University Graduate Project conducted under the supervision of Öznur Taştan.
Project scope: Protein binding energy level prediction machine learning algorithm. Stage 1 (current) uses external hydrogen bond counts and solvent-accessible surface area (SASA) data to predict. Further stages are envisioned to use internal hydrogen bond counts as well. Detailed exploration of the alterations in binding efficiency concerning both regions and amino acids using Network Graphs and XGBoost.
Developed with the collaboration of Faraz Badali, Büşra Tayhan, Alize Sevgi Yalçınkaya, and Bilgehan Cagiltay.
The data for this project has been sourced from: "T.F. Guclu, A.R. Atilgan, C. Atilgan, "Deciphering GB1's Single Mutational Landscape: Insights from MuMi Analysis," Journal of Physical Chemistry B; 128, 7987-7996 (2024)"