Perturbed structural dynamics underlie inhibition and altered efflux of the multidrug resistance pump AcrB von Reading, Eamonn, Ahdash, Zainab, Fais, Chiara, Ricci, Vito, Wang-Kan, Xuan, Grimsey, Elizabeth, Stone, Jack, Malloci, Giuliano, Lau, Andy M., Findlay, Heather, Konijnenberg, Albert, Booth, Paula J., Ruggerone, Paolo, Vargiu, Attilio V., Piddock, Laura J. V., Politis, Argyris

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Molecular basis for inhibition of AcrB multidrug efflux pump by novel and powerful pyranopyridine derivatives von Sjuts, Hanno, Vargiu, Attilio V., Kwasny, Steven M., Nguyen, Son T., Kim, Hong-Suk, Ding, Xiaoyuan, Ornik, Alina R., Ruggerone, Paolo, Bowlin, Terry L., Nikaido, Hiroshi, Pos, Klaas M., Opperman, Timothy J.

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Binding and Transport of Carboxylated Drugs by the Multidrug Transporter AcrB von Tam, Heng-Keat, Malviya, Viveka N., Foong, Wuen-Ee, Herrmann, Andrea, Malloci, Giuliano, Ruggerone, Paolo, Vargiu, Attilio V., Pos, Klaas M.

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Molecular Rationale behind the Differential Substrate Specificity of Bacterial RND Multi-Drug Transporters von Ramaswamy, Venkata Krishnan, Vargiu, Attilio V., Malloci, Giuliano, Dreier, Jürg, Ruggerone, Paolo

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Water-mediated interactions enable smooth substrate transport in a bacterial efflux pump von Vargiu, Attilio Vittorio, Ramaswamy, Venkata Krishnan, Malvacio, Ivana, Malloci, Giuliano, Kleinekathöfer, Ulrich, Ruggerone, Paolo

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AcrB drug-binding pocket substitution confers clinically relevant resistance and altered substrate specificity von Blair, Jessica M. A., Bavro, Vassiliy N., Ricci, Vito, Modi, Niraj, Cacciotto, Pierpaolo, Kleinekathӧfer, Ulrich, Ruggerone, Paolo, Vargiu, Attilio V., Baylay, Alison J., Smith, Helen E., Brandon, Yvonne, Galloway, David, Piddock, Laura J. V.

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Force Fields, Quantum-Mechanical- and Molecular-Dynamics-Based Descriptors of Radiometal-Chelator Complexes von Öztürk, Işılay, Gervasoni, Silvia, Guccione, Camilla, Bosin, Andrea, Vargiu, Attilio Vittorio, Ruggerone, Paolo, Malloci, Giuliano

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Molecular simulations of SSTR2 dynamics and interaction with ligands von Gervasoni, Silvia, Guccione, Camilla, Fanti, Viviana, Bosin, Andrea, Cappellini, Giancarlo, Golosio, Bruno, Ruggerone, Paolo, Malloci, Giuliano

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Chlorpromazine and Amitriptyline Are Substrates and Inhibitors of the AcrB Multidrug Efflux Pump von Grimsey, Elizabeth M, Fais, Chiara, Marshall, Robert L, Ricci, Vito, Ciusa, Maria Laura, Stone, Jack W, Ivens, Alasdair, Malloci, Giuliano, Ruggerone, Paolo, Vargiu, Attilio V, Piddock, Laura J V

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A Database of Force-Field Parameters, Dynamics, and Properties of Antimicrobial Compounds von Malloci, Giuliano, Vargiu, Attilio Vittorio, Serra, Giovanni, Bosin, Andrea, Ruggerone, Paolo, Ceccarelli, Matteo

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AB-DB: Force-Field parameters, MD trajectories, QM-based data, and Descriptors of Antimicrobials von Gervasoni, Silvia, Malloci, Giuliano, Bosin, Andrea, Vargiu, Attilio V., Zgurskaya, Helen I., Ruggerone, Paolo

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Molecular Determinants of the Promiscuity of MexB and MexY Multidrug Transporters of Pseudomonas aeruginosa von Ramaswamy, Venkata K, Vargiu, Attilio V, Malloci, Giuliano, Dreier, Jürg, Ruggerone, Paolo

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A New Critical Conformational Determinant of Multidrug Efflux by an MFS Transporter von Zomot, Elia, Yardeni, Eliane Hadas, Vargiu, Attilio Vittorio, Tam, Heng-Keat, Malloci, Giuliano, Ramaswamy, Venkata Krishnan, Perach, Michal, Ruggerone, Paolo, Pos, Klaas Martinus, Bibi, Eitan

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Common recognition topology of mex transporters of Pseudomonas aeruginosa revealed by molecular modelling von Catte, Andrea, K. Ramaswamy, Venkata, Vargiu, Attilio Vittorio, Malloci, Giuliano, Bosin, Andrea, Ruggerone, Paolo

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Identification and characterization of carbapenem binding sites within the RND-transporter AcrB von Atzori, Alessio, Malviya, Viveka N., Malloci, Giuliano, Dreier, Jürg, Pos, Klaas M., Vargiu, Attilio V., Ruggerone, Paolo

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Molecular determinants of avoidance and inhibition of Pseudomonas aeruginosa MexB efflux pump von Gervasoni, Silvia, Mehla, Jitender, Bergen, Charles R, Leus, Inga V, Margiotta, Enrico, Malloci, Giuliano, Bosin, Andrea, Vargiu, Attilio V, Lomovskaya, Olga, Rybenkov, Valentin V, Ruggerone, Paolo, Zgurskaya, Helen I

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Advances in methods and concepts provide new insight into antibiotic fluxes across the bacterial membrane von Vergalli, Julia, Réfrégiers, Matthieu, Ruggerone, Paolo, Winterhalter, Mathias, Pagès, Jean-Marie

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Predictive Rules of Efflux Inhibition and Avoidance in Pseudomonas aeruginosa von Mehla, Jitender, Malloci, Giuliano, Mansbach, Rachael, López, Cesar A, Tsivkovski, Ruslan, Haynes, Keith, Leus, Inga V, Grindstaff, Sally B, Cascella, Robert H, D'Cunha, Napoleon, Herndon, Liam, Hengartner, Nicolas W, Margiotta, Enrico, Atzori, Alessio, Vargiu, Attilio V, Manrique, Pedro D, Walker, John K, Lomovskaya, Olga, Ruggerone, Paolo, Gnanakaran, S, Rybenkov, Valentin V, Zgurskaya, Helen I

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Copper−1,10-Phenanthroline Complexes Binding to DNA: Structural Predictions from Molecular Simulations von Robertazzi, Arturo, Vargiu, Attilio Vittorio, Magistrato, Alessandra, Ruggerone, Paolo, Carloni, Paolo, de Hoog, Paul, Reedijk, Jan

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The challenge of intracellular antibiotic accumulation, a function of fluoroquinolone influx versus bacterial efflux von Vergalli, Julia, Atzori, Alessio, Pajovic, Jelena, Dumont, Estelle, Malloci, Giuliano, Masi, Muriel, Vargiu, Attilio Vittorio, Winterhalter, Mathias, Réfrégiers, Matthieu, Ruggerone, Paolo, Pagès, Jean-Marie

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