Attilio Vittorio Vargiu

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Paolo RuggeroneFull Professor of Applied Physics, University of CagliariEmail verificata su dsf.unica.it
Giuliano MallociDepartment of Physics - University of CagliariEmail verificata su dsf.unica.it
Silvia MarchesanUniversity of Trieste & INSTM, Trieste, ItalyEmail verificata su units.it
Venkata Krishnan RamaswamyComputational Chemistry Developer at Cresset software and discoveryEmail verificata su cresset-group.com
Paolo CarloniForschungszentrum JülichEmail verificata su fz-juelich.de
Klaas Martinus PosProfessor Membrane Transport MachineriesEmail verificata su em.uni-frankfurt.de
Alessandra MagistratoResearch Director, CNR-IOM at SISSAEmail verificata su sissa.it
Ulrich KleinekathöferProfessor of Theoretical Physics, Constructor UniversityEmail verificata su constructor.university
Andrea BosinPhysics Department, Universita' di Cagliari, ItalyEmail verificata su dsf.unica.it
Dr Katie StyanCommonwealth Scientific and Industrial Research OrganisationEmail verificata su csiro.au
Francesca ColluResearch Associate, King's College LondonEmail verificata su kcl.ac.uk
Ana María GarciaUniversidad de Castilla-La ManchaEmail verificata su uclm.es
Laura PiddockProfessor of Microbiology, University of BirminghamEmail verificata su bham.ac.uk
Vito RicciUniversity of BirminghamEmail verificata su bham.ac.uk
Andrea BasciuPhysicist, Machine Learning Engineer @ WAY4WARD srl & GEA space sroEmail verificata su way4ward.eu
Arturo RobertazziQuantistryEmail verificata su quantistry.com
Slavko Kralj, PhDNanotechology, Jozef Stefan InstituteEmail verificata su ijs.si
Daniel IglesiasRamón y Cajal Researcher - University of Castilla-La Mancha (Spain)Email verificata su uclm.es
Alessio AtzoriUniversità degli Studi di CagliariEmail verificata su dsf.unica.it
Helen ZgurskayaProfessor of Chemistry and BiochemistryEmail verificata su ou.edu

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Attilio Vittorio Vargiu

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

Email verificata su dsf.unica.it - Home page

Molecular Modelling Computational Biology/Chemistry Free-energy calculations Biophysics


Titolo Ordina per citazioni Ordina per anno Ordina per titolo	Citata da Citata da	Anno
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	260	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	179	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	158	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	147	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	76	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	66	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

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