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Internalization of Antibiotics by the Multi-Resistant Bacteria Acinetobacter baumannii through the CarO Outer Membrane Porin.

10 December 2025, Version 1
Working Paper
This content is an early or alternative research output and has not been peer-reviewed by Cambridge University Press at the time of posting.

Abstract

Antibiotic resistance represents an emerging global health threat. In this contribution we report all-atom molecular dynamics simulations of a bacterial protein in Acinetobacter baumanii. By using enhanced sampling we show the favorable internalization of the antibiotic via the CarO porin. This results correlates with the knockout or the mutation of the porin as a resistance mechanism.

Keywords

Antibiotic resistence
All atom molecular dynamics
free energy methods
membrane proteins

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Version History

Dec 10, 2025 Version 1

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The content is available under CC BY 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv-2025-vgh6n
D O I: 10.26434/chemrxiv-2025-vgh6n [opens in a new tab]

Author’s competing interest statement

The author(s) have declared they have no conflict of interest with regard to this content

Ethics

The author(s) have declared ethics committee/IRB approval is not relevant to this content

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