“Deep Learning Identifies Conformation-Specific Drug Binding Site on SARS-CoV-2 Spike Protein”

https://pubmed.ncbi.nlm.nih.gov/38113077

This study presents a deep learning-based computational approach that identifies a conformation-specific, glycan-free drug binding site on the SARS-CoV-2 spike protein, validated by molecular dynamics simulations and a pseudotyped virus-based assay, which could potentially inhibit the virus’ interaction with human receptors.