| Multidrug binding properties of the AcrB efflux pump characterized by molecular dynamics simulations AV Vargiu, H Nikaido Proceedings of the National Academy of Sciences 109 (50), 20637-20642, 2012 | 261 | 2012 |
| Molecular basis for inhibition of AcrB multidrug efflux pump by novel and powerful pyranopyridine derivatives H Sjuts, AV Vargiu, SM Kwasny, ST Nguyen, HS Kim, X Ding, AR Ornik, ... Proceedings of the National Academy of Sciences 113 (13), 3509-3514, 2016 | 213 | 2016 |
| AcrB drug-binding pocket substitution confers clinically relevant resistance and altered substrate specificity JMA Blair, VN Bavro, V Ricci, N Modi, P Cacciotto, U Kleinekathӧfer, ... Proceedings of the National Academy of Sciences 112 (11), 3511-3516, 2015 | 200 | 2015 |
| Chirality effects on peptide self-assembly unraveled from molecules to materials AM Garcia, D Iglesias, E Parisi, KE Styan, LJ Waddington, C Deganutti, ... Chem 4 (8), 1862-1876, 2018 | 182 | 2018 |
| Molecular Mechanism of MBX2319 Inhibition of Escherichia coli AcrB Multidrug Efflux Pump and Comparison with Other Inhibitors AV Vargiu, P Ruggerone, TJ Opperman, ST Nguyen, H Nikaido Antimicrobial Agents and Chemotherapy 58 (10), 6224-6234, 2014 | 173 | 2014 |
| The Phe-Phe Motif for Peptide Self-Assembly in Nanomedicine S Marchesan, AV Vargiu, KE Styan Molecules 20 (11), 19775-19788, 2015 | 159 | 2015 |
| RND Efflux Pumps: Structural Information Translated Into Function And Inhibition Mechanisms. P Ruggerone, S Murakami, KM Pos, AV Vargiu Current Topics in Medicinal Chemistry 13 (24), 3079–3100, 2013 | 148 | 2013 |
| Functional rotation of the transporter AcrB: insights into drug extrusion from simulations R Schulz, AV Vargiu, F Collu, U Kleinekathöfer, P Ruggerone PLoS computational biology 6 (6), e1000806, 2010 | 111 | 2010 |
| Higher and lower supramolecular order for the design of self-assembled heterochiral tripeptide hydrogel biomaterials S Marchesan, K Styan, CD Easton, LJ Waddington, AV Vargiu Journals of Materials Chemistry B, 2015 | 101 | 2015 |
| Effect of the F610A Mutation on Substrate Extrusion in the AcrB Transporter: Explanation and Rationale by Molecular Dynamics Simulations AV Vargiu, F Collu, R Schulz, KM Pos, M Zacharias, U Kleinekathöfer, ... Journal of the American Chemical Society 33 (28), 10704-10707, 2011 | 99 | 2011 |
| Folding and Self-Assembly of the TatA Translocation Pore Based on a Charge Zipper Mechanism TH Walther, C Gottselig, SL Grage, M Wolf, AV Vargiu, MJ Klein, ... Cell 152 (1), 316-326, 2013 | 98 | 2013 |
| Copper− 1, 10-Phenanthroline Complexes Binding to DNA: Structural Predictions from Molecular Simulations A Robertazzi, AV Vargiu, A Magistrato, P Ruggerone, P Carloni, ... The Journal of Physical Chemistry B 113 (31), 10881-10890, 2009 | 98 | 2009 |
| The hydrolysis mechanism of the anticancer ruthenium drugs NAMI-A and ICR investigated by DFT-PCM calculations AV Vargiu, A Robertazzi, A Magistrato, P Ruggerone, P Carloni JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES …, 2008 | 98 | 2008 |
| Aminoacyl β-naphthylamides as substrates and modulators of AcrB multidrug efflux pump AD Kinana, AV Vargiu, T May, H Nikaido Proceedings of the National Academy of Sciences 113 (5), 1405-1410, 2016 | 85 | 2016 |
| Heterochirality and Halogenation Control Phe-Phe Hierarchical Assembly S Kralj, O Bellotto, E Parisi, AM Garcia, D Iglesias, S Semeraro, ... ACS nano 14 (12), 16951-16961, 2020 | 81 | 2020 |
| Molecular rationale behind the differential substrate specificity of bacterial RND multi-drug transporters VK Ramaswamy, AV Vargiu, G Malloci, J Dreier, P Ruggerone Scientific reports 7 (1), 8075, 2017 | 77 | 2017 |
| Dissociation of minor groove binders from DNA: insights from metadynamics simulations AV Vargiu, P Ruggerone, A Magistrato, P Carloni Nucleic acids research 36 (18), 5910-5921, 2008 | 74 | 2008 |
| Magnetic Coupling between Copper (II) Ions Mediated by Hydrogen-Bonded (Neutral) Water Molecules J Tang, J Sánchez Costa, A Golobič, B Kozlevčar, A Robertazzi, ... Inorganic chemistry 48 (12), 5473-5479, 2009 | 71 | 2009 |
| Design of a hydrophobic tripeptide that self-assembles into amphiphilic superstructures forming a hydrogel biomaterial AV Vargiu, D Iglesias, KE Styan, LJ Waddington, CD Easton, ... Chemical Communications 52 (35), 5912-5915, 2016 | 68 | 2016 |
| Nanoscale Assembly of Functional Peptides with Divergent Programming Elements AM Garcia, M Melchionna, O Bellotto, S Kralj, S Semeraro, E Parisi, ... ACS nano 15 (2), 3015-3025, 2021 | 62 | 2021 |
Paolo RuggeroneFull Professor of Applied Physics, University of CagliariVerified email at dsf.unica.it
