Prospects for the structure‒function evolution of SARS-CoV-2 main protease inhibitors

Original language	English
Article number	78
Pages (from-to)	78
Number of pages	13
Journal	Journal of Computer-Aided Molecular Design
Volume	39
Issue number	1
DOIs	https://doi.org/10.1007/s10822-025-00654-9
Publication status	Published - 15 Sept 2025

Inhibitor binding, Main protease, Molecular dynamics, SARS-CoV-2, Coronavirus 3C Proteases/antagonists & inhibitors, COVID-19 Drug Treatment, Antiviral Agents/chemistry, Humans, Proline, Lactams, Structure-Activity Relationship, Leucine, Protease Inhibitors/chemistry, Molecular Dynamics Simulation, COVID-19/virology, SARS-CoV-2/enzymology, Nitriles

ID: 69750863