Probing Intermolecular Interactions and Binding Stability of Antimicrobial Peptides with Beta-lactamase of Klebsiella aerogenes by Comparing FDA Approved Beta-lactam drugs: A Docking and Molecular Dynamics Approach

This is a protein-peptide docked structural complex used in Desmond for MD simulation. PIPER, Schrodinger, was used to perform the docking.

本数据集为用于在Desmond中开展分子动力学（MD, Molecular Dynamics）模拟的蛋白质-肽对接结构复合物。本次对接任务由薛定谔（Schrodinger）旗下的PIPER工具执行。