Joe Bailey

Experimentally Tuned Protein-RNA Rosetta Score Function using Bayesian Optimization

The paper develops an experimentally tuned protein-RNA score function for ROSETTA using Bayesian Optimization to improve energetic agreement with experimental data.

ProteinDock: A physics-informed layer to improve protein-protein docking reliability

ProteinDock improves protein-protein docking reliability by integrating physics-based modeling with existing tools, achieving better results on benchmark datasets.

CovSite: A High-Throughput Blind Covalent Screening Framework for Reactive Site Detection

CovSite identifies reactive protein sites for covalent inhibitors using only structure and electrophile SMILES, achieving high accuracy and throughput.

Computational Analysis of Structure and Binding Energy forCisplatin-Loaded Proteins

This paper uses computational methods to analyze cisplatin binding in proteins, evaluates engineered MSH6 carriers, and compares DNA binding energies of protein-delivered versus systemic cisplatin.