Identification of inhibitor binding hotspots in Acinetobacter baumannii β-ketoacyl acyl carrier protein synthase III using molecular dynamics simulation-Reference-Cited by-同舟云学术

Identification of inhibitor binding hotspots in Acinetobacter baumannii β-ketoacyl acyl carrier protein synthase III using molecular dynamics simulation

Published:2020-11 Issue: Volume:100 Page:107669
ISSN:1093-3263
Container-title:Journal of Molecular Graphics and Modelling
language:en
Short-container-title:Journal of Molecular Graphics and Modelling

Author:

Ha Yuna,Jang Mihee,Lee Sehan,Lee Jee-Young,Lee Woo Cheol,Bae Seri,Kang Jihee,Han Minwoo,Kim Yangmee

Funder

National Research Foundation of Korea

Korea Institute of Science and Technology Information

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference61 articles.

1. Multidrug-resistant, extensively drug-resistant and pandrug-resistant bacteria: an international expert proposal for interim standard definitions for acquired resistance;Magiorakos;Clin. Microbiol. Infect.,2011

2. New treatment options against gram-negative organisms;Bassetti;Crit. Care,2011

3. Clinical relevance of the ESKAPE pathogens;Pendleton;Expert Rev. Anti Infect. Ther.,2013

4. Bad bugs, No drugs: No ESKAPE! An update from the infectious diseases society of America;Boucher;Clin. Infect. Dis.,2009

5. Federal funding for the study of antimicrobial resistance in nosocomial pathogens: No ESKAPE;Rice;J. Infect. Dis.,2008

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