Deciphering insights into the binding mechanism and plasticity of Telacebec with <i>M. tuberculosis</i> cytochrome <i>bcc-aa3</i> supercomplex through an unbiased molecular dynamics simulation, free-energy analysis, and DFT study-Reference-Cited by-同舟云学术

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Deciphering insights into the binding mechanism and plasticity of Telacebec with M. tuberculosis cytochrome bcc-aa3 supercomplex through an unbiased molecular dynamics simulation, free-energy analysis, and DFT study

Published:2023-12-18 Issue: Volume: Page:1-14
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Ray Bedabrata¹,Roy Kuldeep K.¹^ORCID

Affiliation:

1. Department of Pharmaceutical Sciences, School of Health Sciences and Technology, UPES, Dehradun, Uttarakhand, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2294833

Reference37 articles.

1. Molecular Dynamics Study of the Structure, Flexibility and Dynamics of Thermostable L1 Lipase at High Temperatures

2. QcrB in Mycobacterium tuberculosis : The new drug target of antitubercular agents

3. The history of tuberculosis: From the first historical records to the isolation of Koch’s Bacillus;Barberis I.;Journal of Preventive Medicine and Hygiene,,2017

4. Plasticity of the Mycobacterium tuberculosis respiratory chain and its impact on tuberculosis drug development

5. Pathogenesis of HIV-1 and Mycobacterium tuberculosis co-infection

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