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 DOI

Annesha Chakraborty,

Vignesh Krishnan,

Subbiah Thamotharan

et al.

Molecular Diversity, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 29, 2024

Language: Английский

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 DOI

Annesha Chakraborty,

Vignesh Krishnan,

Subbiah Thamotharan

et al.

Published: Jan. 1, 2024

Language: Английский

Citations

0
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 DOI

Annesha Chakraborty,

Vignesh Krishnan,

Subbiah Thamotharan

et al.

Molecular Diversity, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 29, 2024

Language: Английский

Citations

0