Converging PMF Calculations of Antibiotic Permeation across an Outer Membrane Porin with Subkilocalorie per Mole Accuracy-Reference-Cited by-同舟云学术

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Converging PMF Calculations of Antibiotic Permeation across an Outer Membrane Porin with Subkilocalorie per Mole Accuracy

Published:2023-08-10 Issue:16 Volume:63 Page:5319-5330
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Lapierre Jeremy¹^ORCID,Hub Jochen S.¹^ORCID

Affiliation:

1. Theoretical Physics and Center for Biophysics, Saarland University, Saarbrücken 66123, Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00880

Reference68 articles.

1. Nosocomial Infections Due to Pseudomonas aeruginosa: Review of Recent Trends

2. Pseudomonas aeruginosa: pathogenesis, virulence factors, antibiotic resistance, interaction with host, technology advances and emerging therapeutics

3. Review of Ceftazidime-Avibactam for the Treatment of Infections Caused by Pseudomonas aeruginosa

4. Permeation of hydrophilic solutes through mitochondrial outer membranes: review on mitochondrial porins

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1. Molecular Mechanism of Ciprofloxacin Translocation Through the Major Diffusion Channels of the ESKAPE Pathogens Klebsiella pneumoniae and Enterobacter cloacae;The Journal of Physical Chemistry B;2024-08-24

2. Seeing is believing: Illuminating the Gram-negative outer membrane with molecular dynamics simulations;Current Opinion in Structural Biology;2024-08

3. Do All Paths Lead to Rome? How Reliable is Umbrella Sampling Along a Single Path?;Journal of Chemical Theory and Computation;2024-07-22

4. The mechanism of an electrostatic nanofilter: overcoming entropy with electrostatics;Physical Chemistry Chemical Physics;2023

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