VARGIU, ATTILIO VITTORIO

VARGIU, ATTILIO VITTORIO  

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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 -
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 -
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 -
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 -
Mechanistic Duality of Bacterial Efflux Substrates and Inhibitors: Example of Simple Substituted Cinnamoyl and Naphthyl Amides 1-gen-2021 D'Cunha, N.; Moniruzzaman, M.; Haynes, K.; Malloci, G.; Cooper, C. J.; Margiotta, E.; Vargiu, A. V.; Uddin, M. R.; Leus, I. V.; Cao, F.; Parks, J. M.; Rybenkov, V. V.; Ruggerone, P.; Zgurskaya, H. I.; Walker, J. K. ACS INFECTIOUS DISEASES -
Molecular insights into the Patched1 drug efflux inhibitory activity of panicein A hydroquinone: a computational study 1-gen-2021 Kovachka, S.; Malloci, G.; Vargiu, A. V.; Azoulay, S.; Mus-Veteau, I.; Ruggerone, P. PHYSICAL CHEMISTRY CHEMICAL PHYSICS -
Nanoscale Assembly of Functional Peptides with Divergent Programming Elements 1-gen-2021 Garcia, A. M.; Melchionna, M.; Bellotto, O.; Kralj, S.; Semeraro, S.; Parisi, E.; Iglesias, D.; D'Andrea, P.; De Zorzi, R.; Vargiu, A. V.; Marchesan, S. ACS NANO -
Native or Non-Native Protein-Protein Docking Models? Molecular Dynamics to the Rescue 1-gen-2021 Jandova, Z.; Vargiu, A. V.; Bonvin, A. M. J. JOURNAL OF CHEMICAL THEORY AND COMPUTATION -