VARGIU, ATTILIO VITTORIO
VARGIU, ATTILIO VITTORIO
DIPARTIMENTO DI FISICA
Force Fields, Quantum-Mechanical- and Molecular-Dynamics-Based Descriptors of Radiometal–Chelator Complexes
2024-01-01 Öztürk, Işılay; Gervasoni, Silvia; Guccione, Camilla; Bosin, Andrea; Vargiu, Attilio Vittorio; Ruggerone, Paolo; Malloci, Giuliano
Insulin amyloid fibril formation reduction by tripeptide stereoisomers
2024-01-01 Rosetti, Beatrice; Kralj, Slavko; Scarel, Erica; Adorinni, Simone; Rossi, Barbara; Vargiu, Attilio V.; Garcia, Ana M.; Marchesan, Silvia
Machine Learning Integrating Protein Structure, Sequence, and Dynamics to Predict the Enzyme Activity of Bovine Enterokinase Variants
2024-01-01 Venanzi, Niccolo Alberto Elia; Basciu, Andrea; Vargiu, Attilio Vittorio; Kiparissides, Alexandros; Dalby, Paul A.; Dikicioglu, Duygu
Peptide Stereochemistry Effects from pKa-Shift to Gold Nanoparticle Templating in a Supramolecular Hydrogel
2024-01-01 Adorinni, Simone; Gentile, Serena; Bellotto, Ottavia; Kralj, Slavko; Parisi, Evelina; Cringoli, Maria C.; Deganutti, Caterina; Malloci, Giuliano; Piccirilli, Federica; Pengo, Paolo; Vaccari, Lisa; Geremia, Silvano; Vargiu, Attilio V.; De Zorzi, Rita; Marchesan, Silvia
Predicting permeation of compounds across the outer membrane of P. aeruginosa using molecular descriptors
2024-01-01 Manrique, Pedro D.; Leus, Inga V.; López, César A.; Mehla, Jitender; Malloci, Giuliano; Gervasoni, Silvia; Vargiu, Attilio V.; Kinthada, Rama K.; Herndon, Liam; Hengartner, Nicolas W.; Walker, John K.; Rybenkov, Valentin V.; Ruggerone, Paolo; Zgurskaya, Helen I.; Gnanakaran, S.
Promising Molecular Architectures for Two-Photon Probes in the Diagnosis of α-Synuclein Aggregates
2024-01-01 Porcu, Stefania; Corpino, Riccardo; Carbonaro, Carlo Maria; Ricci, Pier Carlo; Vargiu, Attilio Vittorio; Sanna, Anna Laura; Sforazzini, Giuseppe; Chiriu, Daniele
Supramolecular Hydrogels and Water Channels of Differing Diameters from Dipeptide Isomers
2024-01-01 Bellotto, Ottavia; Scarel, Erica; Pierri, Giovanni; Rozhin, Petr; Kralj, Slavko; Polentarutti, Maurizio; Bandiera, Antonella; Rossi, Barbara; Vargiu, Attilio V.; Tedesco, Consiglia; Marchesan, Silvia
Functionally distinct mutations within AcrB underpin antibiotic resistance in different lifestyles
2023-01-01 Trampari, Eleftheria; Prischi, Filippo; Vargiu, Attilio V.; Abi-Assaf, Justin; Bavro, Vassiliy N.; Webber, Mark A.
Molecular determinants of avoidance and inhibition of Pseudomonas aeruginosa MexB efflux pump
2023-01-01 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
Tripartite efflux pumps of the RND superfamily: what did we learn from computational studies?
2023-01-01 Athar, Mohd; Gervasoni, Silvia; Catte, Andrea; Basciu, Andrea; Malloci, Giuliano; Ruggerone, Paolo; Vargiu, Attilio Vittorio
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.
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.
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
Molecular Insights Into Binding and Activation of the Human KCNQ2 Channel by Retigabine
2022-01-01 Garofalo, Barbara; Bonvin, Alexandre M. J. J.; Bosin, Andrea; Di Giorgio, Francesco P.; Ombrato, Rosella; Vargiu, Attilio V.
Molecular rationale for the impairment of the MexAB-OprM efflux pump by a single mutation in MexA
2022-01-01 Cacciotto, P.; Basciu, A.; Oliva, F.; Malloci, G.; Zacharias, M.; Ruggerone, P.; Vargiu, A. V.
No dance, no partner! A tale of receptor flexibility in docking and virtual screening
2022-01-01 Basciu, A.; Callea, L.; Motta, S.; Bonvin, A. M. J. J.; Bonati, L.; Vargiu, A. V.
Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps
2022-01-01 Ple, C.; Tam, H. -K.; Vieira Da Cruz, A.; Compagne, N.; Jimenez-Castellanos, J. -C.; Muller, R. T.; Pradel, E.; Foong, W. E.; Malloci, G.; Ballee, A.; Kirchner, M. A.; Moshfegh, P.; Herledan, A.; Herrmann, A.; Deprez, B.; Willand, N.; Vargiu, A. V.; Pos, K. M.; Flipo, M.; Hartkoorn, R. C.
Recognition of quinolone antibiotics by the multidrug efflux transporter MexB of Pseudomonas aeruginosa
2022-01-01 Gervasoni, Silvia; Malloci, Giuliano; Bosin, Andrea; Vargiu, Attilio V; Zgurskaya, Helen I; Ruggerone, Paolo
Single-atom substitution enables supramolecular diversity from dipeptide building blocks
2022-01-01 Scarel, Erica; Bellotto, Ottavia; Rozhin, Petr; Kralj, Slavko; Tortora, Mariagrazia; Vargiu, Attilio V; De Zorzi, Rita; Rossi, Barbara; Marchesan, Silvia
The Structural and Functional Study of Efflux Pumps Belonging to the RND Transporters Family from Gram-Negative Bacteria
2022-01-01 Vargiu, Attilio Vittorio; Phan, Gilles; Venter, Henrietta; Broutin, Isabelle
| Titolo | Data di pubblicazione | Autore(i) | Rivista | Editore |
|---|---|---|---|---|
| Force Fields, Quantum-Mechanical- and Molecular-Dynamics-Based Descriptors of Radiometal–Chelator Complexes | 1-gen-2024 | Öztürk, Işılay; Gervasoni, Silvia; Guccione, Camilla; Bosin, Andrea; Vargiu, Attilio Vittorio; Ruggerone, Paolo; Malloci, Giuliano | MOLECULES | - |
| Insulin amyloid fibril formation reduction by tripeptide stereoisomers | 1-gen-2024 | Rosetti, Beatrice; Kralj, Slavko; Scarel, Erica; Adorinni, Simone; Rossi, Barbara; Vargiu, Attilio V.; Garcia, Ana M.; Marchesan, Silvia | NANOSCALE | - |
| Machine Learning Integrating Protein Structure, Sequence, and Dynamics to Predict the Enzyme Activity of Bovine Enterokinase Variants | 1-gen-2024 | Venanzi, Niccolo Alberto Elia; Basciu, Andrea; Vargiu, Attilio Vittorio; Kiparissides, Alexandros; Dalby, Paul A.; Dikicioglu, Duygu | JOURNAL OF CHEMICAL INFORMATION AND MODELING | - |
| Peptide Stereochemistry Effects from pKa-Shift to Gold Nanoparticle Templating in a Supramolecular Hydrogel | 1-gen-2024 | Adorinni, Simone; Gentile, Serena; Bellotto, Ottavia; Kralj, Slavko; Parisi, Evelina; Cringoli, Maria C.; Deganutti, Caterina; Malloci, Giuliano; Piccirilli, Federica; Pengo, Paolo; Vaccari, Lisa; Geremia, Silvano; Vargiu, Attilio V.; De Zorzi, Rita; Marchesan, Silvia | ACS NANO | - |
| Predicting permeation of compounds across the outer membrane of P. aeruginosa using molecular descriptors | 1-gen-2024 | Manrique, Pedro D.; Leus, Inga V.; López, César A.; Mehla, Jitender; Malloci, Giuliano; Gervasoni, Silvia; Vargiu, Attilio V.; Kinthada, Rama K.; Herndon, Liam; Hengartner, Nicolas W.; Walker, John K.; Rybenkov, Valentin V.; Ruggerone, Paolo; Zgurskaya, Helen I.; Gnanakaran, S. | COMMUNICATIONS CHEMISTRY | - |
| Promising Molecular Architectures for Two-Photon Probes in the Diagnosis of α-Synuclein Aggregates | 1-gen-2024 | Porcu, Stefania; Corpino, Riccardo; Carbonaro, Carlo Maria; Ricci, Pier Carlo; Vargiu, Attilio Vittorio; Sanna, Anna Laura; Sforazzini, Giuseppe; Chiriu, Daniele | MOLECULES | - |
| Supramolecular Hydrogels and Water Channels of Differing Diameters from Dipeptide Isomers | 1-gen-2024 | Bellotto, Ottavia; Scarel, Erica; Pierri, Giovanni; Rozhin, Petr; Kralj, Slavko; Polentarutti, Maurizio; Bandiera, Antonella; Rossi, Barbara; Vargiu, Attilio V.; Tedesco, Consiglia; Marchesan, Silvia | BIOMACROMOLECULES | - |
| Functionally distinct mutations within AcrB underpin antibiotic resistance in different lifestyles | 1-gen-2023 | Trampari, Eleftheria; Prischi, Filippo; Vargiu, Attilio V.; Abi-Assaf, Justin; Bavro, Vassiliy N.; Webber, Mark A. | NPJ ANTIMICROBIALS AND RESISTANCE | - |
| Molecular determinants of avoidance and inhibition of Pseudomonas aeruginosa MexB efflux pump | 1-gen-2023 | 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 | MBIO | - |
| Tripartite efflux pumps of the RND superfamily: what did we learn from computational studies? | 1-gen-2023 | Athar, Mohd; Gervasoni, Silvia; Catte, Andrea; Basciu, Andrea; Malloci, Giuliano; Ruggerone, Paolo; Vargiu, Attilio Vittorio | MICROBIOLOGY | - |
| 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 | - |
| 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 | - |
| 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 | - |
| Molecular Insights Into Binding and Activation of the Human KCNQ2 Channel by Retigabine | 1-gen-2022 | Garofalo, Barbara; Bonvin, Alexandre M. J. J.; Bosin, Andrea; Di Giorgio, Francesco P.; Ombrato, Rosella; Vargiu, Attilio V. | FRONTIERS IN MOLECULAR BIOSCIENCES | - |
| Molecular rationale for the impairment of the MexAB-OprM efflux pump by a single mutation in MexA | 1-gen-2022 | Cacciotto, P.; Basciu, A.; Oliva, F.; Malloci, G.; Zacharias, M.; Ruggerone, P.; Vargiu, A. V. | COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL | - |
| No dance, no partner! A tale of receptor flexibility in docking and virtual screening | 1-gen-2022 | Basciu, A.; Callea, L.; Motta, S.; Bonvin, A. M. J. J.; Bonati, L.; Vargiu, A. V. | ANNUAL REPORTS IN MEDICINAL CHEMISTRY | Academic Press |
| Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps | 1-gen-2022 | Ple, C.; Tam, H. -K.; Vieira Da Cruz, A.; Compagne, N.; Jimenez-Castellanos, J. -C.; Muller, R. T.; Pradel, E.; Foong, W. E.; Malloci, G.; Ballee, A.; Kirchner, M. A.; Moshfegh, P.; Herledan, A.; Herrmann, A.; Deprez, B.; Willand, N.; Vargiu, A. V.; Pos, K. M.; Flipo, M.; Hartkoorn, R. C. | NATURE COMMUNICATIONS | - |
| Recognition of quinolone antibiotics by the multidrug efflux transporter MexB of Pseudomonas aeruginosa | 1-gen-2022 | Gervasoni, Silvia; Malloci, Giuliano; Bosin, Andrea; Vargiu, Attilio V; Zgurskaya, Helen I; Ruggerone, Paolo | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - |
| Single-atom substitution enables supramolecular diversity from dipeptide building blocks | 1-gen-2022 | Scarel, Erica; Bellotto, Ottavia; Rozhin, Petr; Kralj, Slavko; Tortora, Mariagrazia; Vargiu, Attilio V; De Zorzi, Rita; Rossi, Barbara; Marchesan, Silvia | SOFT MATTER | - |
| The Structural and Functional Study of Efflux Pumps Belonging to the RND Transporters Family from Gram-Negative Bacteria | 1-gen-2022 | Vargiu, Attilio Vittorio; Phan, Gilles; Venter, Henrietta; Broutin, Isabelle | ANTIBIOTICS | - |