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IRIS è il sistema di gestione integrata dei dati della ricerca (persone, progetti, pubblicazioni, attività) adottato dall'Università degli Studi di Cagliari dal mese di luglio 2015.

Mostra risultati da 1 a 20 di 52
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TitoloData di pubblicazioneAutore(i)RivistaEditore
Molecular simulations reveal the molecular basis of diffusion through porins; and allow designing potent antibiotics2008Kumar A; Hajjar E; Spiga E; Collu F; Ruggerone P; Ceccarelli MTHE FEBS JOURNALWiley Blackwell
Structural determinants of antibiotic translocations in OMPF2008Hajjar E; Kumar A; Collu F; Spiga E; Ruggerone P; Ceccarelli MTHE FEBS JOURNALWiley Blackwell
The Biophysics Of Antibiotics Translocation Through OmpF Revealed By Computer Simulations2009Hajjar E; Kumar A; Spiga E; Pages J-M; Mahendran K; Mach T; Bessonov A; Winterhalter M; Ruggerone... P; Ceccarelli MBIOPHYSICAL JOURNALCELL PRESS
Structural determinants of antibiotic and β-lactamase diffusion through bacterial porins2009Kumar, Amit; Hajjar, E; Ruggerone, Paolo; Ceccarelli, MatteoBIOPHYSICAL JOURNALCELL PRESS
The Porin passport control-Conductance measurements and biological relevance2009Mahendran R Kozhinjampara; Tivadar Mach; Andrey N Bessonov; Helge Weingart; Chloe E James; Jean-M...arie Pages; Eric Hajjar; Kumar A; Matteo Ceccarelli; Mathias WinterhalterBIOPHYSICAL JOURNAL
Drug design: Insights from atomistic simulations2009Collu, F.; Spiga, E.; Kumar, Amit; Hajjar, E.; Vargiu, ATTILIO VITTORIO; Ceccarelli, Matteo; Rugg...erone, PaoloIL NUOVO CIMENTO C
Structural Determinants Of Antibiotic And betalactamase Diffusion Through Bacterial Porins2009Kumar A; Eric Hajjar; Paolo Ruggerone; Matteo CeccarelliBIOPHYSICAL JOURNAL
Molecular basis of enrofloxacin translocation through a bacterial porin – When binding does not imply translocation2010MAHENDRAN K. R; HAJJAR E; MACH T; LOVELLE M; SOUSA I; KUMAR A; SPIGA E; WEINGART H; GAMEIRO P; WI...NTERHALTER M; CECCARELLI MJOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
Screening for antibiotics with enhanced permeation properties: proof of concept using molecular simulations2010Hajjar E; Bessonov A; Molitor A; Kumar A; Mahendran K; Winterhalter M; Pages JM; Ruggerone P; Cec...carelli M.BIOCHEMISTRY
Towards screening for antibiotics with enhanced permeation properties through bacterial porins2010Hajjar, E; Bessonov, A; Molitor, A; Kumar, A; MAHENDRAN K., R; Winterhalter, M; PAGÈS J., M; Rugg...erone, Paolo; Ceccarelli, MatteoBIOCHEMISTRY
Molecular Basis of Enrofloxacin Translocation through OmpF, an Outer Membrane Channel of Escherichia coli - When Binding Does Not Imply Translocation2010Kozhinjampara R. Mahendran; Eric Hajjar; Tivadar Mach; Marcos Lovelle; Kumar A; Isabel Sousa; Enr...ico Spiga; Helge Weingart; Paula Gameiro; Mathias Winterhalter; Matteo CeccarelliJOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
Investigating reaction pathways in rare events simulations of antibiotics diffusion through protein channels2010Hajjar E; Kumar A; Ruggerone P; Ceccarelli MJOURNAL OF MOLECULAR MODELING
Molecular simulations reveal the mechanism and the determinants for ampicillin translocation through OmpF2010KUMAR A; HAJJAR E; RUGGERONE P; CECCARELLI MJOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
Bridging time and length scales: from macroscopic flux to molecular mechanism of antibiotics diffusion through porins2010Hajjar E; Mahendran K; Kumar A; Bessonov A; Petrescu M; Weingart H; Ruggerone P; Winterhalter M; ...Ceccarelli M.BIOPHYSICAL JOURNAL
Using Molecular Simulations to Screen for Antibiotics with Enhanced Permeation Properties through Bacterial Pores2010Eric Hajjar; Kumar A; Mahendran Kozhinjampara; Andrey Bessonov; Mathias Winterhalter; Paolo Rugge...rone; Matteo CeccarelliBIOPHYSICAL JOURNAL
Structural and dynamical properties of the porins OmpF and OmpC: insights from molecular simulations2010Kumar, Amit; Hajjar, E; Ruggerone, Paolo; Ceccarelli, MatteoJOURNAL OF PHYSICS. CONDENSED MATTER
Structural and dynamical insights on HLA-DRB1: peptide complexes which confer resistance and susceptibility to multiple sclerosis in sardinia: a molecular dynamics simulation study2012Kumar ATHE FEBS JOURNAL
Interaction between HLA-DRB1-DQB1 haplotypes in Sardinian multiple sclerosis population2013Cocco, Eleonora; Murru, Raffaele; Costa, G; Kumar, Amit; Pieroni, E; Melis, C; Barberini, Luigi; ...Sardu, Claudia; Lorefice, Lorena; Fenu, Giuseppe; Frau, Jessica; Coghe, Giancarlo; Carboni, Nicola; Marrosu, MARIA GIOVANNAPLOS ONE
Identification of calcium binding sites on calsequestrin 1 and their implications for polymerization2013Kumar, Amit; Chakravarty, H; Bal, Nc; Balaraju, T; Jena, N; Misra, G; Bal, C; Pieroni, E; Periasa...my, M; Sharon, A.MOLECULAR BIOSYSTEMS
Aromatic interaction profile to understand the molecular basis of raltegravir resistance2013Tuniki, B; Kumar, Amit; Bal, C; Chattopadhyay, D; Jena, N; Bal, Nc; Sharon, A.STRUCTURAL CHEMISTRY
   
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