Molecular Dynamics Simulations of four Pseudomonas aeruginosa membranes with and without Polymyxin B1

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Authors: Sabrina Jaeger-Honz, Björn Sommer, Martin Kern, Hanna Borlinghaus, Mei‐Ling Han, Yan Zhu, Xukai Jiang, Jian Li, Falk Schreiber
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Abstract

This data sets contains Molecular Dynamics (MD) Simulation files of four different Pseudomonas aeruginosa membranes simulated with and without Polymyxin B1. Each system was simulated for 1 µs. The manuscript is currently under review and the data set will be published open-source after acceptance.

Fields of Study & Subjects

Antibiotic Resistance in Bacteria Bacterial biofilms and quorum sensing Antimicrobial agents and applications

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
9 September 2026
Language
EN
Document type
Dataset