VARGIU, ATTILIO VITTORIO

VARGIU, ATTILIO VITTORIO  

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Titolo Data di pubblicazione Autore(i) Rivista Editore
A Novel Dendrimeric Peptide with Antimicrobial Properties: Structure-Function Analysis of SB056 1-gen-2012 Scorciapino, MARIANO ANDREA; Pirri, G; Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo; Giuliani, A; Casu, Mariano; Buerck, J; Wadhwani, P; Ulrich, As; Rinaldi, Andrea - EUT
AB-DB: Force-Field parameters, MD trajectories, QM-based data, and Descriptors of Antimicrobials 1-gen-2022 Gervasoni, S.; Malloci, G.; Bosin, A.; Vargiu, A. V.; Zgurskaya, H. I.; Ruggerone, P. SCIENTIFIC DATA -
AcrB drug-binding pocket substitution confers clinically relevant resistance and altered substrate specificity 1-gen-2015 Jessica M. A., Blair; Vassiliy N., Bavro; Vito, Ricci; Niraj, Modi; Pierpaolo, Cacciotto; Ulrich, Kleinekathӧfer; Ruggerone, Paolo; Vargiu, ATTILIO VITTORIO; Alison J., Baylay; Helen E., Smith; Yvonne, Brandon; David, Galloway; Laura J. V., Piddock PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA -
Aminoacyl β-naphthylamides as substrates and modulators of AcrB multidrug efflux pump 1-gen-2016 Kinana, Alfred D.; Vargiu, ATTILIO VITTORIO; May, Thithiwat; Nikaido, Hiroshi PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA -
Anthramycin-DNA binding explored by molecular simulations 1-gen-2006 Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo; Magistrato, Alessandra; Carloni, Paolo JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL -
Anthramycin-DNA binding explored by molecular simulations 1-gen-2006 Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo; Magistrato, Alessandra; Carloni, Paolo JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL -
Atomistic-level portrayal of drug-DNA interplay: A history of courtships and meetings revealed by molecular simulations 1-gen-2014 Vargiu, ATTILIO VITTORIO; Magistrato, A. CHEMMEDCHEM -
Bacterial efflux transporters’ polyspecificity – a gift and a curse? 1-gen-2021 Zgurskaya, Helen I.; Malloci, Giuliano; Chandar, Brinda; Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo CURRENT OPINION IN MICROBIOLOGY -
Binding and Transport of Carboxylated Drugs by the Multidrug Transporter AcrB 1-gen-2020 Tam, Hk; Malviya, Vn; Foong, We; Herrmann, A; Malloci, G; Ruggerone, P; Vargiu, Av; Pos, Km JOURNAL OF MOLECULAR BIOLOGY -
The challenge of intracellular antibiotic accumulation, a function of fluoroquinolone influx versus bacterial efflux 1-gen-2020 Vergalli, J.; Atzori, A.; Pajovic, J.; Dumont, E.; Malloci, G.; Masi, M.; Vargiu, A. V.; Winterhalter, M.; Refregiers, M.; Ruggerone, P.; Pages, J. -M. COMMUNICATIONS BIOLOGY -
Chirality Effects on Peptide Self-Assembly Unraveled from Molecules to Materials 1-gen-2018 Garcia, A. M.; Iglesias, D.; Parisi, E.; Styan, K. E.; Waddington, L. J.; Deganutti, C.; De Zorzi, R.; Grassi, M.; Melchionna, M.; Vargiu, A. V.; Marchesan, S. CHEM -
Chlorpromazine and amitriptyline are substrates and inhibitors of the acrb multidrug efflux pump 1-gen-2020 Grimsey, E. M.; Fais, C.; Marshall, R. L.; Ricci, V.; Ciusa, M. L.; Stone, J. W.; Ivens, A.; Malloci, G.; Ruggerone, P.; Vargiu, A. V.; Piddock, L. J. V. MBIO -
Computational modelling of efflux pumps and their inhibitors 1-gen-2017 Ramaswamy, VENKATA KRISHNAN; Cacciotto, Pierpaolo; Malloci, Giuliano; Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo ESSAYS IN BIOCHEMISTRY -
Computational study of correlated domain motions in the AcrB efflux transporter 1-gen-2015 Schulz, R; Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo; Kleinekathöfer, U. BIOMED RESEARCH INTERNATIONAL -
Computer simulations of the activity of RND efflux pumps 1-gen-2018 Vargiu, Attilio Vittorio; Ramaswamy, Venkata Krishnan; Malloci, Giuliano; Malvacio, Ivana; Atzori, Alessio; Ruggerone, Paolo RESEARCH IN MICROBIOLOGY -
Copper-1,10-Phenanthroline Complexes Binding to DNA: Structural Predictions from Molecular Simulations 1-gen-2009 Robertazzi, A; Vargiu, ATTILIO VITTORIO; Magistrato, A; Ruggerone, Paolo; Carloni, P; DE HOOG, P; Reedijk, J. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL -
Copper-1,10-Phenanthroline Complexes Binding to DNA: Structural Predictions from Molecular Simulations 1-gen-2009 Robertazzi, A; Vargiu, ATTILIO VITTORIO; Magistrato, A; Ruggerone, Paolo; Carloni, P; DE HOOG, P; Reedijk, J. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL -
Coupling enhanced sampling of the apo-receptor with template-based ligand conformers selection: performance in pose prediction in the D3R Grand Challenge 4 1-gen-2020 Basciu, A.; Koukos, P. I.; Malloci, G.; Bonvin, A. M. J. J.; Vargiu, A. V. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN -
Cryo-EM structure and molecular dynamics analysis of the fluoroquinolone resistant mutant of the AcrB transporter from salmonella 1-gen-2020 Johnson, R. M.; Fais, C.; Parmar, M.; Cheruvara, H.; Marshall, R. L.; Hesketh, S. J.; Feasey, M. C.; Ruggerone, P.; Vargiu, A. V.; Postis, V. L. G.; Muench, S. P.; Bavro, V. N. MICROORGANISMS -
A database of force-field parameters, dynamics, and properties of antimicrobial compounds 1-gen-2015 Malloci, Giuliano; Vargiu, ATTILIO VITTORIO; Serra, Giovanni; Bosin, Andrea; Ruggerone, Paolo; Ceccarelli, Matteo MOLECULES -