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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 83
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TitoloData di pubblicazioneAutore(i)RivistaEditore
Anthramycin-DNA binding explored by molecular simulations2006Vargiu Attilio Vittorio; Ruggerone Paolo; Magistrato Alessandra; Carloni PaoloJOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
Molecular dynamics simulations of outer-membrane protease T from E-coli based on a hybrid coarse-grained/atomistic potential2006Neri Marilisa; Anselmi Claudio; Carnevale Vincenzo; Vargiu Attilio Vittorio; Carloni PaoloJOURNAL OF PHYSICS. CONDENSED MATTER
Understanding anticancer Drug-DNA interactions via molecular dynamics simulations2007Ruggerone P; Carloni P; Magistrato A; Vargiu ABIOPHYSICAL JOURNAL
The hydrolysis mechanism of the anticancer ruthenium drugs NAMI-A and ICR investigated by DFT-PCM calculations2008Vargiu Attilio Vittorio; Robertazzi Arturo; Magistrato Alessandra; Ruggerone Paolo; Carloni PaoloJOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
Dissociation of minor groove binders from DNA: insights from metadynamics simulations2008Vargiu Attilio Vittorio; Ruggerone Paolo; Magistrato Alessandra; Carloni PaoloNUCLEIC ACIDS RESEARCH
Sliding of alkylating anticancer drugs along the minor groove of DNA: new insights on sequenze selectivity2008VARGIU A.V; RUGGERONE P; MAGISTRATO A; CARLONI PBIOPHYSICAL JOURNAL
Simulations of Copper-1,10-Phenanthroline Complexes Binding the DNA2009Robertazzi A; Vargiu AV; Ruggerone P; Magistrato A; de Hoog P; arloni P; Reedijk JBIOPHYSICAL JOURNALCELL PRESS
Molecular Recognition Routes Of DNA By Anticancer Ligands: Mechanisms and Free Energies Explored Via Molecular Dynamics Simulations2009Vargiu AV; Magistrato A; Carloni P; Ruggerone PBIOPHYSICAL JOURNALCELL PRESS
Simulating Efflux Pumps: The Extrusion Mechanism of Substrates2009Schulz R; Vargiu AV; Collu F; Ceccarelli M; Kleinekathöfer U; Ruggerone PBIOPHYSICAL JOURNALCELL PRESS
Magnetic Coupling between Copper(II) Ions Mediated by Hydrogen-Bonded (Neutral) Water Molecules2009Tang Jinkui; Costa Jose Sanchez; Golobic Amalija; Kozlevcar Bojan; Robertazzi Arturo; Vargiu Atti...lio Vittorio; Gamez Patrick; Reedijk JanINORGANIC CHEMISTRY
Drug design: Insights from atomistic simulations2009Collu, F.; Spiga, E.; Kumar, Amit; Hajjar, E.; Vargiu, ATTILIO VITTORIO; Ceccarelli, Matteo; Rugg...erone, PaoloIL NUOVO CIMENTO C
Water-Chloride and Water-Bromide Hydrogen-Bonded Networks: Influence of the Nature of the Halide Ions on the Stability of the Supramolecular Assemblies2009Dey Biswajit; Choudhury Somnath Ray; Gamez Patrick; Vargiu Attilio Vittorio; Robertazzi Arturo; C...hen Chih-Yuan; Lee Hon Man; Jana Atish Dipankar; Mukhopadhyay SubrataJOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY
Molecular simulations of drugs targeting the DNA: Insight into Mechanism, Thermodynamics and Kinetics of Molecular Recognition2009Vargiu A V; Robertazzi A; Ruggerone P.Lambert Academic Publishing
Copper-1,10-Phenanthroline Complexes Binding to DNA: Structural Predictions from Molecular Simulations2009ROBERTAZZI A; VARGIU A.V; MAGISTRATO A; RUGGERONE P; CARLONI P; DE HOOG P; REEDIJK JJOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
Functional rotation of the transporter AcrB: Insights into drug extrusion from simulations2010Schulz, R; Vargiu, ATTILIO VITTORIO; Collu, F; Kleinekathoefer, U; Ruggerone, PaoloPLOS COMPUTATIONAL BIOLOGY
Functional Rotation of the Transporter AcrB: The Essentials of Peristaltic Motion and Subsequent Substrate Extrusion2010Schulz R; Vargiu AV; Collu F; Kleinekathöfer U; Ruggerone PBIOPHYSICAL JOURNALCELL PRESS
Functional Rotation of the Transporter AcrB: Insights into Drug Extrusion from Simulations2010Vargiu AV; Schulz R; Collu F; Kleinekathoefer U; Ruggerone PBIOPHYSICAL JOURNALCELL PRESS
Folding and Self-Assembly of the Pore-Forming Unit Tat-A of the Bacterial Twin-Arginine Translocase2011Grage SL; Walther TH; Wolf M; Vargiu AV; Klein MJ; Ruggerone P; Wenzel W; Ulrich ASBIOPHYSICAL JOURNALCELL PRESS
Simulating bacterial efflux: how molecular features affect functional rotation2011Vargiu AV; Schulz R; Collu F; Kleinekathofer U; Ruggerone PEUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERSSpringer-Verlag
Structure-function investigation of a novel dendrimeric and lipidated antimicrobial peptide2011Scorciapino MA; Buerck J; Casu M; Giuliani A; Pirri G; Ulrich AS; Vargiu AV; Rinaldi ACEUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS
   
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