Identification of Binding Sites for Efflux Pump Inhibitors of the AcrAB-TolC Component AcrA.
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Jerry M. Parks | A. T. Green | Jeremy C. Smith | Z. Darżynkiewicz | J. Gumbart | J. Parks | H. Zgurskaya | Z. Gryczynski | Anthony Hazel | Ronnie L Fulton | Narges Abdali | J. Kimball | A. Green | Ronnie L. Fulton
[1] Rommie E. Amaro,et al. Ensemble Docking in Drug Discovery. , 2018, Biophysical journal.
[2] H. Zgurskaya,et al. Bifurcation kinetics of drug uptake by Gram-negative bacteria , 2017, PloS one.
[3] Jerry M. Parks,et al. Identification and Structure-Activity Relationships of Novel Compounds that Potentiate the Activities of Antibiotics in Escherichia coli. , 2017, Journal of medicinal chemistry.
[4] W. Chiu,et al. An allosteric transport mechanism for the AcrAB-TolC multidrug efflux pump , 2017, eLife.
[5] Julie L. Chaney,et al. Reviving Antibiotics: Efflux Pump Inhibitors That Interact with AcrA, a Membrane Fusion Protein of the AcrAB-TolC Multidrug Efflux Pump. , 2017, ACS infectious diseases.
[6] B. L. de Groot,et al. CHARMM36m: an improved force field for folded and intrinsically disordered proteins , 2016, Nature Methods.
[7] Jon W. Weeks,et al. Breaking the Permeability Barrier of Escherichia coli by Controlled Hyperporination of the Outer Membrane , 2016, Antimicrobial Agents and Chemotherapy.
[8] H. Shigematsu,et al. Pseudoatomic Structure of the Tripartite Multidrug Efflux Pump AcrAB-TolC Reveals the Intermeshing Cogwheel-like Interaction between AcrA and TolC. , 2016, Structure.
[9] John J. Irwin,et al. ZINC 15 – Ligand Discovery for Everyone , 2015, J. Chem. Inf. Model..
[10] B. Luisi,et al. Assembly and operation of bacterial tripartite multidrug efflux pumps. , 2015, Trends in microbiology.
[11] Dima Kozakov,et al. The FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins , 2015, Nature Protocols.
[12] A. Roitberg,et al. Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning. , 2015, Journal of chemical theory and computation.
[13] Kangseok Lee,et al. Structure of the tripartite multidrug efflux pump AcrAB-TolC suggests an alternative assembly mode. , 2015, Molecules and cells.
[14] I. Kuznetsova,et al. Fluorescence of Dyes in Solutions with High Absorbance. Inner Filter Effect Correction , 2014, PloS one.
[15] Wah Chiu,et al. Structure of the AcrAB-TolC multidrug efflux pump , 2014, Nature.
[16] Jeremy C. Smith,et al. VinaMPI: Facilitating multiple receptor high‐throughput virtual docking on high‐performance computers , 2013, J. Comput. Chem..
[17] Kangnian Fan,et al. Interdomain flexibility and pH-induced conformational changes of AcrA revealed by molecular dynamics simulations. , 2012, The journal of physical chemistry. B.
[18] Lorenzo Stella,et al. Fluorescence quenching and ligand binding: A critical discussion of a popular methodology , 2011 .
[19] H. Zgurskaya,et al. Sequential mechanism of assembly of multidrug efflux pump AcrAB-TolC. , 2011, Chemistry & biology.
[20] Hiroshi Nikaido,et al. Mechanism of recognition of compounds of diverse structures by the multidrug efflux pump AcrB of Escherichia coli , 2010, Proceedings of the National Academy of Sciences.
[21] H. Zgurskaya,et al. Kinetic control of TolC recruitment by multidrug efflux complexes , 2009, Proceedings of the National Academy of Sciences.
[22] Arthur J. Olson,et al. AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading , 2009, J. Comput. Chem..
[23] H. Zgurskaya,et al. The C-Terminal Domain of AcrA Is Essential for the Assembly and Function of the Multidrug Efflux Pump AcrAB-TolC , 2009, Journal of bacteriology.
[24] Colin Hughes,et al. The assembled structure of a complete tripartite bacterial multidrug efflux pump , 2009, Proceedings of the National Academy of Sciences.
[25] Z. Darżynkiewicz,et al. Interaction of human decapping scavenger with 5′ mRNA cap analogues: structural requirements for catalytic activity , 2007 .
[26] E. Bokma,et al. A periplasmic coiled-coil interface underlying TolC recruitment and the assembly of bacterial drug efflux pumps , 2007, Proceedings of the National Academy of Sciences.
[27] M. Parrinello,et al. Canonical sampling through velocity rescaling. , 2007, The Journal of chemical physics.
[28] V. Hornak,et al. Comparison of multiple Amber force fields and development of improved protein backbone parameters , 2006, Proteins.
[29] H. Zgurskaya,et al. Conformational flexibility in the multidrug efflux system protein AcrA. , 2006, Structure.
[30] Gerrit Groenhof,et al. GROMACS: Fast, flexible, and free , 2005, J. Comput. Chem..
[31] S. Levy,et al. Antibacterial resistance worldwide: causes, challenges and responses , 2004, Nature Medicine.
[32] Jeremy C. Smith,et al. Fluorescence quenching of dyes by tryptophan: interactions at atomic detail from combination of experiment and computer simulation. , 2003, Journal of the American Chemical Society.
[33] H. Zgurskaya,et al. Chimeric Analysis of the Multicomponent Multidrug Efflux Transporters from Gram-Negative Bacteria , 2002, Journal of bacteriology.
[34] B. Brooks,et al. Constant pressure molecular dynamics simulation: The Langevin piston method , 1995 .
[35] T. Blundell,et al. Comparative protein modelling by satisfaction of spatial restraints. , 1993, Journal of molecular biology.
[36] T. Darden,et al. Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems , 1993 .
[37] P. Kollman,et al. Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models , 1992 .
[38] S. Nosé,et al. Constant pressure molecular dynamics for molecular systems , 1983 .
[39] W. L. Jorgensen,et al. Comparison of simple potential functions for simulating liquid water , 1983 .
[40] J. Keizer. Additions and Corrections - Nonlinear Fluorescence Quenching and the Origin of Positive Curvature in Stern-Volmer Plots , 1983 .
[41] M. Parrinello,et al. Polymorphic transitions in single crystals: A new molecular dynamics method , 1981 .
[42] G. Ciccotti,et al. Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes , 1977 .
[43] Berk Hess,et al. P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation. , 2008, Journal of chemical theory and computation.