Multiple conformational states and gate opening of outer membrane protein TolC revealed by molecular dynamics simulations

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

On the role of TolC in multidrug efflux: the function and assembly of AcrAB-TolC tolerate significant depletion of intracellular TolC protein

(2013) Ganesh Krishnamoorthy et al.   MOLECULAR MICROBIOLOGY

Locked on One Side Only: Ground State Dynamics of the Outer Membrane Efflux Duct TolC

(2012) Martin Raunest et al.   BIOCHEMISTRY

Interdomain Flexibility and pH-Induced Conformational Changes of AcrA Revealed by Molecular Dynamics Simulations

(2012) Beibei Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations

(2012) R. Anandakrishnan et al.   NUCLEIC ACIDS RESEARCH

Sequential Mechanism of Assembly of Multidrug Efflux Pump AcrAB-TolC

(2011) Elena B. Tikhonova et al.   CHEMISTRY & BIOLOGY

Structures of sequential open states in a symmetrical opening transition of the TolC exit duct

(2011) Xue-Yuan Pei et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Transitions between Closed and Open Conformations of TolC: The Effects of Ions in Simulations

(2009) Robert Schulz et al.   BIOPHYSICAL JOURNAL

Multicomponent drug efflux complexes: architecture and mechanism of assembly

(2009) Helen I Zgurskaya   Future Microbiology

Gating at Both Ends and Breathing in the Middle: Conformational Dynamics of TolC

(2008) Loredana Vaccaro et al.   BIOPHYSICAL JOURNAL

Assembly and Channel Opening in a Bacterial Drug Efflux Machine

(2008) Vassiliy N. Bavro et al.   MOLECULAR CELL