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Title: Sequence- and structure-based computational analyses of Gram-negative tripartite efflux pumps in the context of bacterial membranes

Abstract

Gram-negative multidrug resistance currently presents a serious threat to public health with infections effectively rendered untreatable. Multiple molecular mechanisms exist that cause antibiotic resistance and in addition, the last three decades have seen slowing rates of new drug development. In this paper, we summarize the use of various computational techniques for investigating the mechanisms of multidrug resistance mediated by Gram-negative tripartite efflux pumps and membranes. Recent work in our lab combines data-driven sequence and structure analyses to study the interactions and dynamics of these bacterial components. Computational studies can complement experimental methodologies for gaining crucial insights into combatting multidrug resistance.

Authors:
ORCiD logo; ; ;
Publication Date:
Research Org.:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1437825
Alternate Identifier(s):
OSTI ID: 1432622
Report Number(s):
LA-UR-17-28722
Journal ID: ISSN 0923-2508; S092325081830010X; PII: S092325081830010X
Grant/Contract Number:  
20140121DR; AC52-06NA25396
Resource Type:
Published Article
Journal Name:
Research in Microbiology
Additional Journal Information:
Journal Name: Research in Microbiology Journal Volume: 169 Journal Issue: 7-8; Journal ID: ISSN 0923-2508
Publisher:
Elsevier
Country of Publication:
France
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES; 97 MATHEMATICS AND COMPUTING; Gram-negative bacterial infections; Drug resistance; multiple; bacterial; Computational biology; Molecular dynamics simulation; Sequence analysis; protein

Citation Formats

Travers, Timothy, Wang, Katherine J., López, Cesar A., and Gnanakaran, S. Sequence- and structure-based computational analyses of Gram-negative tripartite efflux pumps in the context of bacterial membranes. France: N. p., 2018. Web. doi:10.1016/j.resmic.2018.01.002.
Travers, Timothy, Wang, Katherine J., López, Cesar A., & Gnanakaran, S. Sequence- and structure-based computational analyses of Gram-negative tripartite efflux pumps in the context of bacterial membranes. France. https://doi.org/10.1016/j.resmic.2018.01.002
Travers, Timothy, Wang, Katherine J., López, Cesar A., and Gnanakaran, S. Sat . "Sequence- and structure-based computational analyses of Gram-negative tripartite efflux pumps in the context of bacterial membranes". France. https://doi.org/10.1016/j.resmic.2018.01.002.
@article{osti_1437825,
title = {Sequence- and structure-based computational analyses of Gram-negative tripartite efflux pumps in the context of bacterial membranes},
author = {Travers, Timothy and Wang, Katherine J. and López, Cesar A. and Gnanakaran, S.},
abstractNote = {Gram-negative multidrug resistance currently presents a serious threat to public health with infections effectively rendered untreatable. Multiple molecular mechanisms exist that cause antibiotic resistance and in addition, the last three decades have seen slowing rates of new drug development. In this paper, we summarize the use of various computational techniques for investigating the mechanisms of multidrug resistance mediated by Gram-negative tripartite efflux pumps and membranes. Recent work in our lab combines data-driven sequence and structure analyses to study the interactions and dynamics of these bacterial components. Computational studies can complement experimental methodologies for gaining crucial insights into combatting multidrug resistance.},
doi = {10.1016/j.resmic.2018.01.002},
journal = {Research in Microbiology},
number = 7-8,
volume = 169,
place = {France},
year = {Sat Sep 01 00:00:00 EDT 2018},
month = {Sat Sep 01 00:00:00 EDT 2018}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1016/j.resmic.2018.01.002

Citation Metrics:
Cited by: 7 works
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