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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

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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

A detailed understanding of the mechanistic and kinetic features of NDM-1 is provided and may be implicated in the rational design of novel inhibitors targeting the clinically significant NDM-1 enzyme responsible for broad antibiotic resistance.

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

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