VARGIU, ATTILIO VITTORIO

VARGIU, ATTILIO VITTORIO  

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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 -