MD Simulation of Antimicrobial Peptide Molecule Ku04AMP01 and various ligands
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资源简介：
An experimental Antimicrobial Peptide, KU04AMP01, may eliminate Gram negative pathogens by damaging cellular barrier and genomic DNA. This repository contains codes and data of Molecular Dynamics of Ku04AMP01 molecule in water, as well as in complex with ligands Phosphatedylglycerol (PGL) and Phosphatedylethanolamine (PEA), individually. Initial docking was performed by AMDock, followed by Molecular Dynamics Simulations using GROMACS.
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Zenodo创建时间：
2025-05-10
