Machine Learning-Guided Discovery of AcrB and MexB Efflux Pump Inhibitors

descriptionPublicationkeyboard_double_arrow_right Article 10 Jan 2024 English Publisher:American Chemical Society (ACS)Journal:The Journal of Physical Chemistry B, volume 128, pages 648-663 (issn: 1520-6106, eissn: 1520-5207,

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Authors: Abhishek Bera; Rakesh Kumar Roy; Pritish Joshi; Niladri Patra;

doi: 10.1021/acs.jpcb.3c05845 , 10.5281/zenodo.8300336 , 10.5281/zenodo.10399581 , 10.5281/zenodo.8300335

pmid: 38198225

Machine Learning-Guided Discovery of AcrB and MexB Efflux Pump Inhibitors

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Abstract

Supplementary Information for manuscript "Machine Learning-Guided Discovery of AcrB and MexB Efflux Pump Inhibitors" by Abhishek Bera, Rakesh Kumar Roy, Pritish Joshi and Niladri Patra, Department of Chemistry and Chemical Biology, Indian Institute of Technology (ISM) Dhanbad, Dhanbad - 826004, India. Email - npatra2@iitism.ac.in

Related Organizations

Indian Institute of Technology Dhanbad
India

Keywords

ATP-Binding Cassette, Sub-Family C Proteins, Anti-Infective Agents, Escherichia coli Proteins, Membrane Proteins, Carrier Proteins, Anti-Bacterial Agents, Bacterial Outer Membrane Proteins

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