Rapid Computational Identification of Therapeutic Targets for Pathogens
Jonathan Allen | 20-ERD-062
Executive Summary
We will develop a computational drug target identification tool, which links previous knowledge of proteins and their drug target potential to rapidly guide countermeasure design in newly sequenced pathogen genomes. Systematically inferring links between a new pathogen and previous countermeasure design efforts will create a rigorous system for prioritizing new countermeasures for biological threats.
Publications, Presentations, and Patents
Lau, Edmond Y., Oscar A. Negrete, W. F. Drew Bennett, Brian J. Bennion, Monica Borucki, Feliza Bourguet, Aidan Epstein, et al., 2021. “Discovery of Small-Molecule Inhibitors of SARS-CoV-2 Proteins Using a Computational and Experimental Pipeline,” Frontiers in Molecular Biosciences 8: 644. https://doi.org/10.3389/fmolb.2021.678701.
Stevenson, Garrett A., Derek Jones, Hyojin Kim, W. F. Drew Bennett, Brian J. Bennion, Monica Borucki, Feliza Bourguet, et al., 2021. “High-Throughput Virtual Screening of Small Molecule Inhibitors for SARS-CoV-2 Protein Targets with Deep Fusion Models.” Supercomputing 21.
