Attilio Vittorio Vargiu (Attilio V Vargiu)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 39

Top Topics

Single Molecule

Pseudomonas Aeruginosa

Molecular Dynamics Simulations

Hyaluronic Acid

Top Venues

Journal of chemical information and modeling

Nature communications

Biomacromolecules

This page only lists publications with an associated author ORCID identifier.

Publications

Niccolo Alberto Elia Venanzi, Andrea Basciu, Attilio Vittorio Vargiu, Alexandros Kiparissides, Paul A Dalby, Duygu Dikicioglu
Machine Learning Integrating Protein Structure, Sequence, and Dynamics to Predict the Enzyme Activity of Bovine Enterokinase Variants. Journal of chemical information and modeling 64 (7) (2024)
Andrea Basciu, Mohd Athar, Han Kurt, Christine Neville, Giuliano Malloci, Fabrizio C Muredda, Andrea Bosin, Paolo Ruggerone, Alexandre M J J Bonvin, Attilio Vittorio Vargiu
Predicting binding events in very flexible, allosteric, multi-domain proteins. bioRxiv : the preprint server for biology (2024)
Simone Adorinni, Serena Gentile, Ottavia Bellotto, Slavko Kralj, Evelina Parisi, Maria C Cringoli, Caterina Deganutti, Giuliano Malloci, Federica Piccirilli, Paolo Pengo, Lisa Vaccari, Silvano Geremia, Attilio Vittorio Vargiu, Rita De Zorzi, Silvia Marchesan
Peptide Stereochemistry Effects from p K a -Shift to Gold Nanoparticle Templating in a Supramolecular Hydrogel. ACS nano 18 (4) (2024)
Niccolo Alberto Elia Venanzi, Andrea Basciu, Attilio Vittorio Vargiu, Alexandros Kiparissides, Paul A Dalby, Duygu Dikicioglu
Machine Learning Integrating Protein Structure, Sequence, and Dynamics to Predict the Enzyme Activity of Bovine Enterokinase Variants. Journal of chemical information and modeling 64 (7) (2024)
Beatrice Rosetti, Slavko Kralj, Erica Scarel, Simone Adorinni, Barbara Rossi, Attilio Vittorio Vargiu, Ana Maria Garcia, Silvia Marchesan
Insulin amyloid fibril formation reduction by tripeptide stereoisomers. Nanoscale 16 (23) (2024)
Stefania Porcu, Riccardo Corpino, Carlo Maria Carbonaro, Pier Carlo Ricci, Attilio Vittorio Vargiu, Anna Laura Sanna, Giuseppe Sforazzini, Daniele Chiriu
Promising Molecular Architectures for Two-Photon Probes in the Diagnosis of α-Synuclein Aggregates. Molecules (Basel, Switzerland) 29 (12) (2024)
Ottavia Bellotto, Erica Scarel, Giovanni Pierri, Petr Rozhin, Slavko Kralj, Maurizio Polentarutti, Antonella Bandiera, Barbara Rossi, Attilio Vittorio Vargiu, Consiglia Tedesco, Silvia Marchesan
Supramolecular Hydrogels and Water Channels of Differing Diameters from Dipeptide Isomers. Biomacromolecules (2024)
Niccolo Alberto Elia Venanzi, Andrea Basciu, Attilio Vittorio Vargiu, Alexandros Kiparissides, Paul A Dalby, Duygu Dikicioglu
Machine Learning Integrating Protein Structure, Sequence, and Dynamics to Predict the Enzyme Activity of Bovine Enterokinase Variants. Journal of chemical information and modeling 64 (7) (2024)
Stefania Porcu, Riccardo Corpino, Carlo Maria Carbonaro, Pier Carlo Ricci, Attilio Vittorio Vargiu, Anna Laura Sanna, Giuseppe Sforazzini, Daniele Chiriu
Promising Molecular Architectures for Two-Photon Probes in the Diagnosis of α-Synuclein Aggregates. Molecules (Basel, Switzerland) 29 (12) (2024)
Beatrice Rosetti, Slavko Kralj, Erica Scarel, Simone Adorinni, Barbara Rossi, Attilio Vittorio Vargiu, Ana Maria Garcia, Silvia Marchesan
Insulin amyloid fibril formation reduction by tripeptide stereoisomers. Nanoscale 16 (23) (2024)
Simone Adorinni, Serena Gentile, Ottavia Bellotto, Slavko Kralj, Evelina Parisi, Maria C Cringoli, Caterina Deganutti, Giuliano Malloci, Federica Piccirilli, Paolo Pengo, Lisa Vaccari, Silvano Geremia, Attilio Vittorio Vargiu, Rita De Zorzi, Silvia Marchesan
Peptide Stereochemistry Effects from p K a -Shift to Gold Nanoparticle Templating in a Supramolecular Hydrogel. ACS nano 18 (4) (2024)
Simone Adorinni, Serena Gentile, Ottavia Bellotto, Slavko Kralj, Evelina Parisi, Maria C Cringoli, Caterina Deganutti, Giuliano Malloci, Federica Piccirilli, Paolo Pengo, Lisa Vaccari, Silvano Geremia, Attilio Vittorio Vargiu, Rita De Zorzi, Silvia Marchesan
Peptide Stereochemistry Effects from p K a -Shift to Gold Nanoparticle Templating in a Supramolecular Hydrogel. ACS nano (2024)
Niccolo Alberto Elia Venanzi, Andrea Basciu, Attilio Vittorio Vargiu, Alexandros Kiparissides, Paul A Dalby, Duygu Dikicioglu
Machine Learning Integrating Protein Structure, Sequence, and Dynamics to Predict the Enzyme Activity of Bovine Enterokinase Variants. Journal of chemical information and modeling 64 (7) (2024)
Ottavia Bellotto, Erica Scarel, Giovanni Pierri, Petr Rozhin, Slavko Kralj, Maurizio Polentarutti, Antonella Bandiera, Barbara Rossi, Attilio Vittorio Vargiu, Consiglia Tedesco, Silvia Marchesan
Supramolecular Hydrogels and Water Channels of Differing Diameters from Dipeptide Isomers. Biomacromolecules 25 (4) (2024)
Niccolo Alberto Elia Venanzi, Andrea Basciu, Attilio Vittorio Vargiu, Alexandros Kiparissides, Paul A Dalby, Duygu Dikicioglu
Machine Learning Integrating Protein Structure, Sequence, and Dynamics to Predict the Enzyme Activity of Bovine Enterokinase Variants. Journal of chemical information and modeling (2024)
Niccolo Alberto Elia Venanzi, Andrea Basciu, Attilio Vittorio Vargiu, Alexandros Kiparissides, Paul A Dalby, Duygu Dikicioglu
Machine Learning Integrating Protein Structure, Sequence, and Dynamics to Predict the Enzyme Activity of Bovine Enterokinase Variants. Journal of chemical information and modeling 64 (7) (2024)
Ottavia Bellotto, Erica Scarel, Giovanni Pierri, Petr Rozhin, Slavko Kralj, Maurizio Polentarutti, Antonella Bandiera, Barbara Rossi, Attilio Vittorio Vargiu, Consiglia Tedesco, Silvia Marchesan
Supramolecular Hydrogels and Water Channels of Differing Diameters from Dipeptide Isomers. Biomacromolecules 25 (4) (2024)
Andrea Basciu, Mohd Athar, Han Kurt, Christine Neville, Giuliano Malloci, Fabrizio C Muredda, Andrea Bosin, Paolo Ruggerone, Alexandre M J J Bonvin, Attilio Vittorio Vargiu
Predicting binding events in very flexible, allosteric, multi-domain proteins. bioRxiv : the preprint server for biology (2024)
Beatrice Rosetti, Slavko Kralj, Erica Scarel, Simone Adorinni, Barbara Rossi, Attilio Vittorio Vargiu, Ana Maria Garcia, Silvia Marchesan
Insulin amyloid fibril formation reduction by tripeptide stereoisomers. Nanoscale (2024)
Niccolo Alberto Elia Venanzi, Andrea Basciu, Attilio Vittorio Vargiu, Alexandros Kiparissides, Paul A Dalby, Duygu Dikicioglu
Machine Learning Integrating Protein Structure, Sequence, and Dynamics to Predict the Enzyme Activity of Bovine Enterokinase Variants. Journal of chemical information and modeling 64 (7) (2024)
Coline Plé, Heng-Keat Tam, Anais Vieira Da Cruz, Nina Compagne, Juan-Carlos Jiménez-Castellanos, Reinke T Müller, Elizabeth Pradel, Wuen Ee Foong, Giuliano Malloci, Alexia Ballée, Moritz A Kirchner, Parisa Moshfegh, Adrien Herledan, Andrea Herrmann, Benoit Deprez, Nicolas Willand, Attilio Vittorio Vargiu, Klaas Martinus Pos, Marion Flipo, Ruben Christiaan Hartkoorn
Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps. Nature communications 13 (1) (2022)
Julia Vergalli, Hugo Chauvet, Francesco Oliva, Jelena Pajović, Giuliano Malloci, Attilio Vittorio Vargiu, Matthieu Réfrégiers, Paolo Ruggerone, Jean Marie Pagès
A framework for dissecting affinities of multidrug efflux transporter AcrB to fluoroquinolones. Communications biology 5 (1) (2022)
Silvia Gervasoni, Giuliano Malloci, Andrea Bosin, Attilio Vittorio Vargiu, Helen I Zgurskaya, Paolo Ruggerone
Recognition of quinolone antibiotics by the multidrug efflux transporter MexB of Pseudomonas aeruginosa . Physical chemistry chemical physics : PCCP 24 (27) (2022)
Attilio Vittorio Vargiu, Gilles Phan, Henrietta Venter, Isabelle Broutin
The Structural and Functional Study of Efflux Pumps Belonging to the RND Transporters Family from Gram-Negative Bacteria. Antibiotics (Basel, Switzerland) 11 (4) (2022)
Silvia Gervasoni, Giuliano Malloci, Andrea Bosin, Attilio Vittorio Vargiu, Helen I Zgurskaya, Paolo Ruggerone
AB-DB: Force-Field parameters, MD trajectories, QM-based data, and Descriptors of Antimicrobials. Scientific data 9 (1) (2022)
Alina Ornik-Cha, Julia Wilhelm, Jessica Kobylka, Hanno Sjuts, Attilio Vittorio Vargiu, Giuliano Malloci, Julian Reitz, Anja Seybert, Achilleas S Frangakis, Klaas Martinus Pos
Structural and functional analysis of the promiscuous AcrB and AdeB efflux pumps suggests different drug binding mechanisms. Nature communications 12 (1) (2021)
Jitender Mehla, Giuliano Malloci, Rachael Mansbach, Cesar A López, Ruslan Tsivkovski, Keith Haynes, Inga V Leus, Sally B Grindstaff, Robert H Cascella, Napoleon D'Cunha, Liam Herndon, Nicolas W Hengartner, Enrico Margiotta, Alessio Atzori, Attilio Vittorio Vargiu, Pedro D Manrique, John K Walker, Olga Lomovskaya, Paolo Ruggerone, S Gnanakaran, Valentin V Rybenkov, Helen I Zgurskaya
Predictive Rules of Efflux Inhibition and Avoidance in Pseudomonas aeruginosa. mBio 12 (1) (2021)
Napoleon D'Cunha, Mohammad Moniruzzaman, Keith Haynes, Giuliano Malloci, Connor J Cooper, Enrico Margiotta, Attilio Vittorio Vargiu, Muhammad R Uddin, Inga V Leus, Feng Cao, Jerry M Parks, Valentin V Rybenkov, Paolo Ruggerone, Helen I Zgurskaya, John K Walker
Mechanistic Duality of Bacterial Efflux Substrates and Inhibitors: Example of Simple Substituted Cinnamoyl and Naphthyl Amides. ACS infectious diseases 7 (9) (2021)
Ana Maria Garcia, Michele Melchionna, Ottavia Bellotto, Slavko Kralj, Sabrina Semeraro, Evelina Parisi, Daniel Iglesias Asperilla, Paola D'Andrea, Rita De Zorzi, Attilio Vittorio Vargiu, Silvia Marchesan
Nanoscale Assembly of Functional Peptides with Divergent Programming Elements. ACS nano 15 (2) (2021)
Julia Vergalli, Alessio Atzori, Jelena Pajovic, Estelle Dumont, Giuliano Malloci, Muriel Masi, Attilio Vittorio Vargiu, Mathias Winterhalter, Matthieu Réfrégiers, Paolo Ruggerone, Jean Marie Pagès
The challenge of intracellular antibiotic accumulation, a function of fluoroquinolone influx versus bacterial efflux. Communications biology 3 (1) (2020)
Eamonn Reading, Zainab Ahdash, Chiara Fais, Vito Ricci, Xuan Wang-Kan, Elizabeth Grimsey, Jack Stone, Giuliano Malloci, Andy M Lau, Heather Findlay, Albert Konijnenberg, Paula J Booth, Paolo Ruggerone, Attilio Vittorio Vargiu, Laura J V Piddock, Argyris Politis
Perturbed structural dynamics underlie inhibition and altered efflux of the multidrug resistance pump AcrB. Nature communications 11 (1) (2020)
Rachel M Johnson, Chiara Fais, Mayuriben Parmar, Harish Cheruvara, Robert L Marshall, Sophie J Hesketh, Matthew C Feasey, Paolo Ruggerone, Attilio Vittorio Vargiu, Vincent L G Postis, Stephen P Muench, Vassiliy N Bavro
Cryo-EM Structure and Molecular Dynamics Analysis of the Fluoroquinolone Resistant Mutant of the AcrB Transporter from Salmonella. Microorganisms 8 (6) (2020)
Elizabeth M Grimsey, Chiara Fais, Robert L Marshall, Vito Ricci, Maria Laura Ciusa, Jack W Stone, Alasdair Ivens, Giuliano Malloci, Paolo Ruggerone, Attilio Vittorio Vargiu, Laura J V Piddock
Chlorpromazine and Amitriptyline Are Substrates and Inhibitors of the AcrB Multidrug Efflux Pump. mBio 11 (3) (2020)
Slavko Kralj, Ottavia Bellotto, Evelina Parisi, Ana M Garcia, Daniel Iglesias Asperilla, Sabrina Semeraro, Caterina Deganutti, Paola D'Andrea, Attilio Vittorio Vargiu, Silvano Geremia, Rita De Zorzi, Silvia Marchesan
Heterochirality and Halogenation Control Phe-Phe Hierarchical Assembly. ACS nano (2020)
Alessio Atzori, Giuliano Malloci, Francesca Cardamone, Andrea Bosin, Attilio Vittorio Vargiu, Paolo Ruggerone
Molecular Interactions of Carbapenem Antibiotics with the Multidrug Efflux Transporter AcrB of Escherichia coli. International journal of molecular sciences 21 (3) (2020)
Andrea Basciu, Panagiotis I Koukos, Giuliano Malloci, Alexandre M J J Bonvin, Attilio Vittorio Vargiu
Coupling enhanced sampling of the apo-receptor with template-based ligand conformers selection: performance in pose prediction in the D3R Grand Challenge 4. Journal of computer-aided molecular design 34 (2) (2019)
Alessio Atzori, Giuliano Malloci, Jigneshkumar Dahyabhai Prajapati, Andrea Basciu, Andrea Bosin, Ulrich Kleinekathöfer, Jürg Dreier, Attilio Vittorio Vargiu, Paolo Ruggerone
Molecular Interactions of Cephalosporins with the Deep Binding Pocket of the RND Transporter AcrB. The journal of physical chemistry. B 123 (22) (2019)
Andrea Basciu, Giuliano Malloci, Fabio Pietrucci, Alexandre M J J Bonvin, Attilio Vittorio Vargiu
Holo-like and Druggable Protein Conformations from Enhanced Sampling of Binding Pocket Volume and Shape. Journal of chemical information and modeling 59 (4) (2019)
Venkata Krishnan Ramaswamy, Attilio Vittorio Vargiu, Giuliano Malloci, Jürg Dreier, Paolo Ruggerone
Molecular Rationale behind the Differential Substrate Specificity of Bacterial RND Multi-Drug Transporters. Scientific reports 7 (1) (2017)