Structural exploration of thiazole urea-based Gyr B inhibitors through different computational approaches: Bayesian classification, molecular docking and free energy-inspired molecular dynamics simulation.

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authors

Kumar, Yuvraj
Bhattacharya, Arijit
Dogra, Swati
Manish Kumar, MD
Kori, Mohan Lal
Silakari, Om

publication date

February 6, 2026

published in

Journal of molecular graphics & modelling Journal

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