Discovery of Putative LpxC Inhibitors against Klebsiella pneumoniae: An Early-Stage Rationale Structure-Based Drug Design
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This repository contains data associated with the initial and optimized models of LpxC, including molecular docked conformations, as well as all XVG and Excel Data files, and images related to the unbound and ligand-bound LpxC systems, which were recorded during 100ns MD simulations.
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Zenodo创建时间：
2025-07-21
