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Sharoon Shamshad

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Sep 2026

Conformational Dynamics and Ligand Binding Kinetics of New Delhi Metallo-β-Lactamase-1 (NDM-1): A Combined Conventional Molecular Dynamics and Ligand Gaussian Accelerated Molecular Dynamics (LiGaMD) Simulation Study

New Delhi metallo-β-lactamase-1 (NDM-1) is an enzyme responsible for antimicrobial resistance against all major classes of antibiotics, posing a serious health threat to worldwide healthcare systems. Understanding its structural and dynamical properties due to ligand binding will be helpful in pursuing the developmen...

Sharoon Shamshad, Ayaz Ahmed, S. T. Moin · 0 citations

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