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
Francesca ColluResearch Associate, King's College LondonEmail verificata su kcl.ac.uk
Dr Katie StyanCommonwealth Scientific and Industrial Research OrganisationEmail verificata su csiro.au
Laura PiddockProfessor of Microbiology, University of BirminghamEmail verificata su bham.ac.uk
Vito RicciUniversity of BirminghamEmail verificata su bham.ac.uk
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
Evelina ParisiUniversità degli Studi di TriesteEmail verificata su phd.units.it
Andrea BasciuMachine Learning Engineer @ WAY4WARD srl & GEA space sroEmail verificata su way4ward.eu
Helen ZgurskayaProfessor of Chemistry and BiochemistryEmail verificata su ou.edu
Alexandre M.J.J. BonvinUtrecht universityEmail verificata su uu.nl
matteo ceccarelliFull Professor of Biophysics, Department of Physics, University of CagliariEmail verificata su dsf.unica.it

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Attilio Vittorio Vargiu

Physics Department, University of Cagliari, ITALY

Email verificata su dsf.unica.it - Home page

Molecular Modelling Computational Biology/Chemistry Free-energy calculations Biophysics Bioinformatics


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	245	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	185	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	178	2015
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	154	2014
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	151	2018
The Phe-Phe Motif for Peptide Self-Assembly in Nanomedicine S Marchesan, AV Vargiu, KE Styan Molecules 20 (11), 19775-19788, 2015	141	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	134	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	107	2010
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	96	2008
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	93	2009
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	92	2013
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	92	2011
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	86	2015
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	76	2016
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	73	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	70	2009
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	69	2017
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	64	2020
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	60	2016
A Database of Force-Field Parameters, Dynamics, and Properties of Antimicrobial Compounds G Malloci, AV Vargiu, G Serra, A Bosin, P Ruggerone, M Ceccarelli Molecules 20 (8), 13997-14021, 2015	57	2015

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