Paolo Ruggerone
Paolo Ruggerone
Full Professor of Applied Physics, University of Cagliari
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First-principles prediction of structure, energetics, formation enthalpy, elastic constants, polarization, and piezoelectric constants of AlN, GaN, and InN: Comparison of local …
A Zoroddu, F Bernardini, P Ruggerone, V Fiorentini
Physical Review B 64 (4), 045208, 2001
Novel diffusion mechanism on the GaAs (001) surface: the role of adatom-dimer interaction
A Kley, P Ruggerone, M Scheffler
Physical review letters 79 (26), 5278, 1997
Interaction of antibacterial compounds with RND efflux pumps in Pseudomonas aeruginosa
J Dreier, P Ruggerone
Frontiers in microbiology 6, 138176, 2015
Surface Diffusion: Atomistic and Collective Processes
C Ratsch, P Ruggerone, M Scheffler
Plenum Press, New York, 1997
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
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
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
RND efflux pumps: structural information translated into function and inhibition mechanisms
P Ruggerone, S Murakami, K M Pos, AV Vargiu
Current topics in medicinal chemistry 13 (24), 3079-3100, 2013
Investigating biological systems using first principles Car–Parrinello molecular dynamics simulations
M Dal Peraro, P Ruggerone, S Raugei, FL Gervasio, P Carloni
Current opinion in structural biology 17 (2), 149-156, 2007
Organ-pipe modes of sodium epitaxial multilayers on Cu (001) observed by inelastic helium-atom scattering
G Benedek, J Ellis, A Reichmuth, P Ruggerone, H Schief, JP Toennies
Physical review letters 69 (20), 2951, 1992
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
Frustrated H-induced instability of Mo (110)
B Kohler, P Ruggerone, S Wilke, M Scheffler
Physical review letters 74 (8), 1387, 1995
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
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
The Journal of Physical Chemistry B 112 (14), 4401-4409, 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 133 (28), 10704-10707, 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
Scattering of rare-gas atoms at a metal surface: evidence of anticorrugation of the helium-atom potential energy surface and the surface electron density
M Petersen, S Wilke, P Ruggerone, B Kohler, M Scheffler
Physical review letters 76 (6), 995, 1996
Facilitated Permeation of Antibiotics across Membrane Channels− Interaction of the Quinolone Moxifloxacin with the OmpF Channel
T Mach, P Neves, E Spiga, H Weingart, M Winterhalter, P Ruggerone, ...
Journal of the American Chemical Society 130 (40), 13301-13309, 2008
Binding of novel azole-bridged dinuclear platinum (II) anticancer drugs to DNA: insights from hybrid QM/MM molecular dynamics simulations
A Magistrato, P Ruggerone, K Spiegel, P Carloni, J Reedijk
The Journal of Physical Chemistry B 110 (8), 3604-3613, 2006
Electronic pseudocharge model for the Cu (111) longitudinal-surface-phonon anomaly observed by helium-atom scattering
C Kaden, P Ruggerone, JP Toennies, G Zhang, G Benedek
Physical Review B 46 (20), 13509, 1992
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