Attilio Vittorio Vargiu

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Paolo RuggeroneFull Professor of Applied Physics, University of CagliariAdresse e-mail validée de dsf.unica.it
Giuliano MallociDepartment of Physics - University of CagliariAdresse e-mail validée de dsf.unica.it
Silvia MarchesanUniversity of Trieste & INSTM, Trieste, ItalyAdresse e-mail validée de units.it
Klaas Martinus PosProfessor Membrane Transport MachineriesAdresse e-mail validée de em.uni-frankfurt.de
Venkata Krishnan RamaswamyComputational Chemistry Developer at Cresset software and discoveryAdresse e-mail validée de cresset-group.com
Paolo CarloniForschungszentrum JülichAdresse e-mail validée de fz-juelich.de
Alessandra MagistratoResearch Director, CNR-IOM at SISSAAdresse e-mail validée de sissa.it
Ulrich KleinekathöferProfessor of Theoretical Physics, Constructor UniversityAdresse e-mail validée de constructor.university
Andrea BosinPhysics Department, Universita' di Cagliari, ItalyAdresse e-mail validée de dsf.unica.it
Ana María GarciaUniversidad de Castilla-La ManchaAdresse e-mail validée de uclm.es
Andrea BasciuPhysicist, Machine Learning Engineer @ WAY4WARD srl & GEA space sroAdresse e-mail validée de way4ward.eu
Slavko Kralj, PhDNanotechology, Jozef Stefan InstituteAdresse e-mail validée de ijs.si
Dr Katie StyanCommonwealth Scientific and Industrial Research OrganisationAdresse e-mail validée de csiro.au
Francesca ColluResearch Associate, King's College LondonAdresse e-mail validée de kcl.ac.uk
Laura PiddockProfessor of Microbiology, University of BirminghamAdresse e-mail validée de bham.ac.uk
Vito RicciUniversity of BirminghamAdresse e-mail validée de bham.ac.uk
Arturo RobertazziQuantistryAdresse e-mail validée de quantistry.com
Daniel IglesiasRamón y Cajal Researcher - University of Castilla-La Mancha (Spain)Adresse e-mail validée de uclm.es
Helen ZgurskayaProfessor of Chemistry and BiochemistryAdresse e-mail validée de ou.edu
Alessio AtzoriUniversità degli Studi di CagliariAdresse e-mail validée de dsf.unica.it

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Attilio Vittorio Vargiu

Associate Professor of Applied Physics, Physics Department, University of Cagliari, ITALY

Adresse e-mail validée de dsf.unica.it - Page d'accueil

Molecular Modelling Computational Biology/Chemistry Free-energy calculations Biophysics


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
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	263	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	217	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	204	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	192	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	176	2014
The Phe-Phe Motif for Peptide Self-Assembly in Nanomedicine S Marchesan, AV Vargiu, KE Styan Molecules 20 (11), 19775-19788, 2015	164	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	151	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	112	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	107	2015
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	100	2013
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	100	2008
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
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
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	89	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	86	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	78	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	76	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	70	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	65	2021

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