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Generative adversarial network (GAN) model-based design of potent SARS-CoV-2 Mpro inhibitors using the electron density of ligands and 3D binding pockets: insights from molecular docking, dynamics simulation, and MM-GBSA analysis

Annesha Chakraborty; Vignesh Krishnan; Subbiah Thamotharan
Molecular Diversity · Vol. 29, Issue 4 · pp. 3059-3075 · 2025

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Bibliographic Information

JournalMolecular Diversity
PublisherSpringer
Publication Date2025-08-01
Publication Year2025
Volume29
Issue4
Pages3059-3075
Document TypeJournal Article
eISSN1573-501X
DOI10.1007/s11030-024-11047-9

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NARA Access Coverage1995-01-01~Current
Journal Homepagehttps://www.springer.com/journal/11030
Publisher PageOpen Publisher Page
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