Predicting antibiotic resistance in complex protein targets using alchemical free energy methods
Author:
Affiliation:
1. Nuffield Department of Medicine, John Radcliffe Hospital University of Oxford Oxford UK
2. National Institute of Health Research Oxford Biomedical Research Centre John Radcliffe Hospital Oxford UK
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26979
Reference42 articles.
1. World Health Organization (WHO) Rapid communication: Key changes to treatment of multidrug‐ and rifampicin‐resistant tuberculosis (MDR/RR‐TB)2018.
2. World Health Organization (WHO) Catalogue of mutations inMycobacterium tuberculosiscomplex and their association with drug resistance. License: CC BY‐NC‐SA 3.0 IGO.2021.
3. The 2021 WHO catalogue of Mycobacterium tuberculosis complex mutations associated with drug resistance: a genotypic analysis
4. A data compendium associating the genomes of 12,289 Mycobacterium tuberculosis isolates with quantitative resistance phenotypes to 13 antibiotics
5. Prediction of Susceptibility to First-Line Tuberculosis Drugs by DNA Sequencing
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1. Predicting rifampicin resistance inM. tuberculosisusing machine learning informed by protein structural and chemical features;2024-08-15
2. Prediction of pyrazinamide resistance in Mycobacterium tuberculosis using structure-based machine-learning approaches;JAC-Antimicrobial Resistance;2024-03-05
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