VARGIU, ATTILIO VITTORIO
VARGIU, ATTILIO VITTORIO
DIPARTIMENTO DI FISICA
A database of force-field parameters, dynamics, and properties of antimicrobial compounds
2015-01-01 Malloci, Giuliano; Vargiu, ATTILIO VITTORIO; Serra, Giovanni; Bosin, Andrea; Ruggerone, Paolo; Ceccarelli, Matteo
A framework for dissecting affinities of multidrug efflux transporter AcrB to fluoroquinolones
2022-01-01 Vergalli, J.; Chauvet, H.; Oliva, F.; Pajovic, J.; Malloci, G.; Vargiu, A. V.; Refregiers, M.; Ruggerone, P.; Pages, J. -M.
A kinetic Monte Carlo approach to investigate antibiotic translocation through bacterial porins
2012-01-01 Ceccarelli, Matteo; Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo
A New Critical Conformational Determinant of Multidrug Efflux by an MFS Transporter
2018-01-01 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
A Novel Dendrimeric Peptide with Antimicrobial Properties: Structure-Function Analysis of SB056
2012-01-01 Scorciapino, MARIANO ANDREA; Pirri, G; Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo; Giuliani, A; Casu, Mariano; Buerck, J; Wadhwani, P; Ulrich, As; Rinaldi, Andrea
A novel dendrimeric peptide with antimicrobial properties: structure-function analysis of SB056
2012-01-01 Scorciapino, MARIANO ANDREA; Pirri, G; Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo; Giuliani, A; Casu, Mariano; Buerck, J; Wadhwana, P; Ulrich, As; Rinaldi, Andrea
AB-DB: Force-Field parameters, MD trajectories, QM-based data, and Descriptors of Antimicrobials
2022-01-01 Gervasoni, S.; Malloci, G.; Bosin, A.; Vargiu, A. V.; Zgurskaya, H. I.; Ruggerone, P.
AcrB drug-binding pocket substitution confers clinically relevant resistance and altered substrate specificity
2015-01-01 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
Aminoacyl β-naphthylamides as substrates and modulators of AcrB multidrug efflux pump
2016-01-01 Kinana, Alfred D.; Vargiu, ATTILIO VITTORIO; May, Thithiwat; Nikaido, Hiroshi
Anthramycin-DNA binding explored by molecular simulations
2006-01-01 Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo; Magistrato, Alessandra; Carloni, Paolo
Atomistic-level portrayal of drug-DNA interplay: A history of courtships and meetings revealed by molecular simulations
2014-01-01 Vargiu, ATTILIO VITTORIO; Magistrato, A.
Bacterial efflux transporters’ polyspecificity – a gift and a curse?
2021-01-01 Zgurskaya, Helen I.; Malloci, Giuliano; Chandar, Brinda; Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo
Binding and Transport of Carboxylated Drugs by the Multidrug Transporter AcrB
2020-01-01 Tam, Hk; Malviya, Vn; Foong, We; Herrmann, A; Malloci, G; Ruggerone, P; Vargiu, Av; Pos, Km
Chirality Effects on Peptide Self-Assembly Unraveled from Molecules to Materials
2018-01-01 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.
Chlorpromazine and amitriptyline are substrates and inhibitors of the acrb multidrug efflux pump
2020-01-01 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.
Common recognition topology of mex transporters of Pseudomonas aeruginosa revealed by molecular modelling
2022-01-01 Catte, Andrea; K. Ramaswamy, Venkata; Vargiu, Attilio Vittorio; Malloci, Giuliano; Bosin, Andrea; Ruggerone, Paolo
Computational modelling of efflux pumps and their inhibitors
2017-01-01 Ramaswamy, VENKATA KRISHNAN; Cacciotto, Pierpaolo; Malloci, Giuliano; Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo
Computational study of correlated domain motions in the AcrB efflux transporter
2015-01-01 Schulz, R; Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo; Kleinekathöfer, U.
Computer simulations of the activity of RND efflux pumps
2018-01-01 Vargiu, Attilio Vittorio; Ramaswamy, Venkata Krishnan; Malloci, Giuliano; Malvacio, Ivana; Atzori, Alessio; Ruggerone, Paolo
Copper-1,10-Phenanthroline Complexes Binding to DNA: Structural Predictions from Molecular Simulations
2009-01-01 Robertazzi, A; Vargiu, ATTILIO VITTORIO; Magistrato, A; Ruggerone, Paolo; Carloni, P; DE HOOG, P; Reedijk, J.
| Titolo | Data di pubblicazione | Autore(i) | Rivista | Editore |
|---|---|---|---|---|
| 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 | - |
| A framework for dissecting affinities of multidrug efflux transporter AcrB to fluoroquinolones | 1-gen-2022 | Vergalli, J.; Chauvet, H.; Oliva, F.; Pajovic, J.; Malloci, G.; Vargiu, A. V.; Refregiers, M.; Ruggerone, P.; Pages, J. -M. | COMMUNICATIONS BIOLOGY | - |
| A kinetic Monte Carlo approach to investigate antibiotic translocation through bacterial porins | 1-gen-2012 | Ceccarelli, Matteo; Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo | JOURNAL OF PHYSICS. CONDENSED MATTER | - |
| A New Critical Conformational Determinant of Multidrug Efflux by an MFS Transporter | 1-gen-2018 | 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 | JOURNAL OF MOLECULAR BIOLOGY | - |
| 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 |
| 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; Wadhwana, P; Ulrich, As; Rinaldi, Andrea | BIOPHYSICAL JOURNAL | - |
| 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 | - |
| 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 | - |
| 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 | - |
| Common recognition topology of mex transporters of Pseudomonas aeruginosa revealed by molecular modelling | 1-gen-2022 | Catte, Andrea; K. Ramaswamy, Venkata; Vargiu, Attilio Vittorio; Malloci, Giuliano; Bosin, Andrea; Ruggerone, Paolo | FRONTIERS IN PHARMACOLOGY | - |
| 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 | - |