Journal of visualized experiments : JoVESARS-CoV-2LigandsCoronavirus 3C ProteasesCOVID-19 Drug TreatmentSmall Molecule Libraries
Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro.
L J Córdova-Bahena, S M Pérez-Tapia, Marco A Velasco-Velázquez
Published: 202510.3791/68933
Abstract
A pharmacophore defines the spatial arrangement of molecular features required for optimal interactions between a compound and its biological target. These models can be derived by analyzing the intermolecular interactions between a target and a set…
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