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Updated: Nov 26, 2025

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
Published on: September 26, 2025
SARS-CoV-2 virtual biochemistry labs on bioinformatics and drug design
Gabriel S Brandt1, Walter R P Novak2
1Franklin and Marshall College Department of Chemistry, Lancaster, Pennsylvania, USA.
Abstract:
Colleges and universities are learning to provide relevant virtual lab experiences for students due to the COVID-19 pandemic. Even schools attempting in-person instruction often need to utilize virtual experiences for students absent due to quarantine or illness. Much of biochemistry is amenable to molecular visualization and/or computational study; however, many faculty face learning how to utilize new computational and molecular visualization software. We present a set of virtual lab exercises with detailed instructions to engage students in the discovery of novel antiviral compounds against the SARS-CoV-2 main protease.
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