Three ways in, one way out: Water dynamics in the trans-membrane domains of the inner membrane translocase AcrB

dxTuber: Detecting protein cavities, tunnels and clefts based on protein and solvent dynamics

(2011) Martin Raunest et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Drug export and allosteric coupling in a multidrug transporter revealed by molecular simulations

(2010) Xin-Qiu Yao et al.   Nature Communications

Multidrug Resistance in Bacteria

(2009) Hiroshi Nikaido   Annual Review of Biochemistry

Crucial Role of Asp408 in the Proton Translocation Pathway of Multidrug Transporter AcrB: Evidence from Site-Directed Mutagenesis and Carbodiimide Labeling

(2009) Markus A. Seeger et al.   BIOCHEMISTRY

Alamethicin in lipid bilayers: Combined use of X-ray scattering and MD simulations

(2009) Jianjun Pan et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Drug transport mechanism of the AcrB efflux pump

(2009) Klaas M. Pos   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

The EVB as a quantitative tool for formulating simulations and analyzing biological and chemical reactions

(2009) Shina C. L. Kamerlin et al.   FARADAY DISCUSSIONS

Covalently Linked AcrB Giant Offers a New Powerful Tool for Mechanistic Analysis of Multidrug Efflux in Bacteria

(2009) H. I. Zgurskaya   JOURNAL OF BACTERIOLOGY

The assembled structure of a complete tripartite bacterial multidrug efflux pump

(2009) M. F. Symmons et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

ATP-binding cassette transporters in Escherichia coli

(2008) Anastassiia Moussatova et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

The AcrB Efflux Pump: Conformational Cycling and Peristalsis Lead to Multidrug Resistance

(2008) Markus Seeger et al.   CURRENT DRUG TARGETS

Multidrug efflux transporter, AcrB—the pumping mechanism

(2008) S MURAKAMI   CURRENT OPINION IN STRUCTURAL BIOLOGY

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Structure, Function, and Evolution of Bacterial ATP-Binding Cassette Systems

(2008) A. L. Davidson et al.   MICROBIOLOGY AND MOLECULAR BIOLOGY REVIEWS

Engineered disulfide bonds support the functional rotation mechanism of multidrug efflux pump AcrB

(2008) Markus A Seeger et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Protons and how they are transported by proton pumps

(2008) M. J. Buch-Pedersen et al.   PFLUGERS ARCHIV-EUROPEAN JOURNAL OF PHYSIOLOGY