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Scientific Reports|December 23, 2015
HIV-1 Protease Dimerization Dynamics Reveals a Transient Druggable Binding Pocket at the InterfaceFabio Pietrucci, Attilio Vittorio Vargiu, Agata KranjcNucleic Acids Research|September 20, 2008
Dissociation of minor groove binders from DNA: insights from metadynamics simulationsAttilio Vittorio Vargiu, Paolo Ruggerone, Alessandra Magistrato, et al.Antibiotics (Basel, Switzerland)|April 23, 2022
The Structural and Functional Study of Efflux Pumps Belonging to the RND Transporters Family from Gram-Negative BacteriaAttilio Vittorio Vargiu, Gilles Phan, Henrietta Venter, et al.Journal of Chemical Theory and Computation|August 3, 2021
Native or Non-Native Protein-Protein Docking Models? Molecular Dynamics to the RescueZuzana Jandova, Attilio Vittorio Vargiu, Alexandre M J J BonvinJournal of Computer-Aided Molecular Design|February 18, 2011
Molecular motions in drug design: the coming age of the metadynamics methodXevi Biarnés, Salvatore Bongarzone, Attilio Vittorio Vargiu, et al.International Journal of Molecular Sciences|February 5, 2020
Molecular Interactions of Carbapenem Antibiotics with the Multidrug Efflux Transporter AcrB of Escherichia coliAlessio Atzori, Giuliano Malloci, Francesca Cardamone, et al.Molecules (Basel, Switzerland)|August 7, 2015
A Database of Force-Field Parameters, Dynamics, and Properties of Antimicrobial CompoundsGiuliano Malloci, Attilio Vittorio Vargiu, Giovanni Serra, et al.Research in Microbiology|February 7, 2018
Computer simulations of the activity of RND efflux pumpsAttilio Vittorio Vargiu, Venkata Krishnan Ramaswamy, Giuliano Malloci, et al.Biochimica Et Biophysica Acta. General Subjects|January 18, 2018
Water-mediated interactions enable smooth substrate transport in a bacterial efflux pumpAttilio Vittorio Vargiu, Venkata Krishnan Ramaswamy, Ivana Malvacio, et al.Frontiers in Pharmacology|November 28, 2022
Common recognition topology of mex transporters of Pseudomonas aeruginosa revealed by molecular modellingAndrea Catte, Venkata K Ramaswamy, Attilio Vittorio Vargiu, et al.Pageof 3