Author

Joe Bailey

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Open access Jul 2026

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

CovSite is presented, a blind covalent screening tool that identifies candidate reactive residues across the entire protein surface, utilizing only the protein structure and electrophile SMILES, and serves as a platform technology with the potential to address critical gaps in throughput, generalizability, and accuracy...

A. Hu, Joe Bailey, Søren C. Spina et al. · bioRxiv · 0 citations

Open access Jul 2026

Experimentally Tuned Protein-RNA Rosetta Score Function using Bayesian Optimization

This work proposes an experimentally tuned protein-RNA score function that can be directly implemented into ROSETTA and establishes a framework to efficiently fine-tune ROSETTA score functions for any protein-class interaction using Bayesian Optimization.

Joe Bailey, Nathan Phan, Søren C. Spina et al. · bioRxiv · 0 citations

Open access Jul 2026

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

It is demonstrated that a truncated version of ProteinDock can be used to choose the optimal prediction among outputs from multiple deep learning-based tools, and shown that this strategy is a computationally efficient alternative to increasing the seed quantity for deep-learning predictions.

G. Rajagopal, Søren C. Spina, Joe Bailey et al. · bioRxiv · 0 citations