BioinformaticsbioRxivPreprint
A Structure-Based Computational Pipeline for Broad-Spectrum Antiviral Discovery
Maria A. Castellanos, Alexander Matthew Payne, Jenke Scheen…·John D. Chodera
This paper introduces a computational pipeline for identifying broad-spectrum antivirals by analyzing viral sequences, predicting ligand poses, and scoring protein-ligand complexes, validated on SARS-CoV-2 and MERS-CoV datasets.
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