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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 21 a 40 di 108
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TitoloData di pubblicazioneAutore(i)RivistaEditore
Rationalizing the permeation of polar antibiotics into Gram-negative bacteria2017Scorciapino, MARIANO ANDREA; ACOSTA GUTIERREZ, Silvia; Benkerrou, Dehbia; D'Agostino, Tommaso; Ma...lloci, Giuliano; Samanta, Susruta; Bodrenko, Igor; Ceccarelli, MatteoJOURNAL OF PHYSICS. CONDENSED MATTER
Bacterial outer membrane porins as electrostatic nanosieves: exploring transport rules of small polar molecules2017Bajaj, Harsha; ACOSTA GUTIERREZ, Silvia; Bodrenko, Igor; Malloci, Giuliano; Scorciapino, MARIANO ...ANDREA; Winterhalter, Mathias; Ceccarelli, MatteoACS NANO
Investigation of siderophore-monobactam antibiotic derivatives: their iron(III)-complexes and binding to receptors2017Scorciapino, M. A.; Malloci, G.; Ceccarelli, M.; Moynie, L.; Naismith, J. H.; Desarbre, E.; Page, M.BIOPHYSICAL JOURNAL
Filtering with the electric field: a story on protein channels electrostatics2017Acosta-Gutierrez, S.; Malloci, G.; Bodrenko, I.; Scorciapino, M. A.; Ceccarelli, M.BIOPHYSICAL JOURNAL
Tuning optical properties of dibenzochrysenes by functionalization: A many-body perturbation theory study2017Dardenne, Nicolas; Cardia, Roberto; Li, Jing; Malloci, Giuliano; Cappellini, Giancarlo; Blase, Xa...vier; Charlier, Jean-christophe; Rignanese, Gian-marcoJOURNAL OF PHYSICAL CHEMISTRY. C
Computational investigation of the effects of perfluorination on the charge-transport properties of polyaromatic hydrocarbons2016Cardia R; Malloci G; Bosin A; Serra G; Cappellini GCHEMICAL PHYSICS
Extracting conformational ensembles of small molecules from molecular dynamics simulations: ampicillin as a test case2016Malloci, G; Serra, G; Bosin, A; Vargiu, AVCOMPUTATION
Exploiting the porin pathway for polar compound delivery into Gram-negative bacteria2016Scorciapino, Mariano Andrea; D'Agostino, Tommaso; Acosta Gutierrez, Silvia; Malloci, Giuliano; Bo...drenko, Igor; Ceccarelli, MatteoFUTURE MEDICINAL CHEMISTRY
Electronic and optical properties of hexathiapentacene in the gas and crystal phases2016Cardia, R; Malloci, G; Rignanese, GM; Blase, X; Molteni, E; Cappellini, GPHYSICAL REVIEW. B
Electronic and optical properties of functionalized polyaromatic hydrocarbons: a computational investigation on perfluorinated circumacenes2016Cappellini, Giancarlo; Cardia, Roberto; Malloci, Giuliano; Bosin, Andrea; Serra, GiovanniSPIE - The International Society for Optical Engineering
Multidrug efflux pumps and their inhibitors characterized by computational modeling2016Ramaswamy, VENKATA KRISHNAN; Cacciotto, Pierpaolo; Malloci, Giuliano; Ruggerone, Paolo; Vargiu, A...TTILIO VITTORIOSpringer
Effects of substitution and functionalization on the electronic, optical, and transport properties of polycyclic aromatic hydrocarbons2015Cardia R; Malloci G; Cappellini G
Computational investigation on the electronic, optical and transport properties of hexathiapentacene in the molecular and solid phases2015Cappellini G; Cardia R; Malloci G
Computational investigation on the effect of halogen substitution on the electronic, optical, and transport properties of guanine2015Cappellini, Giancarlo; Cardia, Roberto; Malloci, Giuliano
A database of force-field parameters, dynamics, and properties of antimicrobial compounds2015Malloci, Giuliano; Vargiu, ATTILIO VITTORIO; Serra, Giovanni; Bosin, Andrea; Ruggerone, Paolo; Ce...ccarelli, MatteoMOLECULES
Antimicrobial compounds database2015Malloci, GiulianoDipartimento di Fisica - UniCA
OACagliari VAMDC QChITool Software2015Saba, Andrea; Mulas, Giacomo; Malloci, GiulianoOsservatorio Astronomico di Cagliari - INAF
Interfacial Engineering of P3HT/ZnO Hybrid Solar Cells Using Phthalocyanines: A Joint Theoretical and Experimental Investigation2014Mattioli G; Ben Dkhil S; Saba M I; Malloci G; Melis C; Alippi P; Filippone F; Giannozzi P; Thakur... A K; Gaceur M; Margeat O; Diallo A K; Videlot-Ackermann C; Ackermann J; Bonapasta A A; Mattoni AADVANCED ENERGY MATERIALS
Atomistic simulations of thiol-terminated modifiers for hybrid photovoltaic interfaces2014Malloci, G.; Petrozza, A.; Mattoni, A.THIN SOLID FILMS
Electronic and Optical properties of Hexathiapentacene within TD(DFT) schemes2014Cardia; R.; Malloci; G.; Cappellini G
   
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