Energetics and conformational pathways of functional rotation in the multidrug transporter AcrB
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Title
Energetics and conformational pathways of functional rotation in the multidrug transporter AcrB
Authors
Keywords
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Journal
eLife
Volume 7, Issue -, Pages -
Publisher
eLife Sciences Organisation, Ltd.
Online
2018-03-06
DOI
10.7554/elife.31715
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- (2014) Albert C. Pan et al. Journal of Chemical Theory and Computation
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- (2014) Mahmoud Moradi et al. Journal of Chemical Theory and Computation
- Structure of the AcrAB–TolC multidrug efflux pump
- (2014) Dijun Du et al. NATURE
- Dynamic architecture of a protein kinase
- (2014) C. L. McClendon et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB
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- Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles
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- Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop
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- (2012) Yasuhiro Matsunaga et al. PLoS Computational Biology
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- Three ways in, one way out: Water dynamics in the trans-membrane domains of the inner membrane translocase AcrB
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- (2009) Klaas M. Pos BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS
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- (2008) Markus A Seeger et al. NATURE STRUCTURAL & MOLECULAR BIOLOGY
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