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Exploring the interaction mechanism between potential inhibitor and multi-target Mur enzymes of mycobacterium tuberculosis using molecular docking, molecular dynamics simulation, principal component analysis, free energy landscape, dynamic cross-correlation matrices, vector movements, and binding free energy calculation.
Kumari M, Singh R, Subbarao N. Kumari M, et al. Among authors: subbarao n. J Biomol Struct Dyn. 2022;40(24):13497-13526. doi: 10.1080/07391102.2021.1989040. Epub 2021 Oct 18. J Biomol Struct Dyn. 2022. PMID: 34662260
132 results