Identification of Conserved Allosteric Sites in the Global Virome via Inverse Covariance Matrix Analysis

This dataset presents the results of a high-throughput in silico structural screening targeting 30 major global pathogens. Utilizing an Inverse Covariance Matrix (Precision Matrix) approach on a single workstation, the study identifies "Highly Coupled Residue Clusters" (HCRCs) that are evolutionarily conserved and structurally obligate. The provided library includes binding affinity scores and toxicity profiles for broad-spectrum inhibitor candidates targeting SARS-CoV-2, Ebola, HIV-1, and neurodegenerative fibrils. All targets are confirmed Safe-by-Design with minimal human proteome homology.