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Mostrati risultati da 41 a 60 di 129
Titolo Data di pubblicazione Autore(i) Rivista Editore
Bacterial outer membrane porins as electrostatic nanosieves: exploring transport rules of small polar molecules 1-gen-2017 Bajaj, Harsha; ACOSTA GUTIERREZ, Silvia; Bodrenko, Igor; Malloci, Giuliano; Scorciapino, MARIANO ANDREA; Winterhalter, Mathias; Ceccarelli, Matteo ACS NANO -
Molecular Rationale behind the Differential Substrate Specificity of Bacterial RND Multi-Drug Transporters 1-gen-2017 Ramaswamy, VENKATA KRISHNAN; Vargiu, ATTILIO VITTORIO; Malloci, Giuliano; Dreier, Jürg; Ruggerone, Paolo SCIENTIFIC REPORTS -
Tuning optical properties of dibenzochrysenes by functionalization: A many-body perturbation theory study 1-gen-2017 Dardenne, Nicolas; Cardia, Roberto; Li, Jing; Malloci, Giuliano; Cappellini, Giancarlo; Blase, Xavier; Charlier, Jean-christophe; Rignanese, Gian-marco JOURNAL OF PHYSICAL CHEMISTRY. C -
Rationalizing the permeation of polar antibiotics into Gram-negative bacteria 1-gen-2017 Scorciapino, MARIANO ANDREA; ACOSTA GUTIERREZ, Silvia; Benkerrou, Dehbia; D'Agostino, Tommaso; Malloci, Giuliano; Samanta, Susruta; Bodrenko, Igor; Ceccarelli, Matteo JOURNAL OF PHYSICS. CONDENSED MATTER -
Filtering with the electric field: a story on protein channels electrostatics 1-gen-2017 Acosta-Gutierrez, S.; Malloci, G.; Bodrenko, I.; Scorciapino, M. A.; Ceccarelli, M. BIOPHYSICAL JOURNAL -
Computational modelling of efflux pumps and their inhibitors 1-gen-2017 Ramaswamy, VENKATA KRISHNAN; Cacciotto, Pierpaolo; Malloci, Giuliano; Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo ESSAYS IN BIOCHEMISTRY -
Multidrug efflux pumps and their inhibitors characterized by computational modeling 1-gen-2016 Ramaswamy, VENKATA KRISHNAN; Cacciotto, Pierpaolo; Malloci, Giuliano; Ruggerone, Paolo; Vargiu, ATTILIO VITTORIO - Springer
Electronic and optical properties of hexathiapentacene in the gas and crystal phases 1-gen-2016 Cardia, Roberto; Malloci, Giuliano; Rignanese, Gm; Blase, X; Molteni, Elena; Cappellini, Giancarlo PHYSICAL REVIEW. B -
Computational investigation of the effects of perfluorination on the charge-transport properties of polyaromatic hydrocarbons 1-gen-2016 Cardia, Roberto; Malloci, Giuliano; Bosin, Andrea; Serra, Giovanni; Cappellini, Giancarlo CHEMICAL PHYSICS -
Electronic and optical properties of functionalized polyaromatic hydrocarbons: a computational investigation on perfluorinated circumacenes 1-gen-2016 Cappellini, Giancarlo; Cardia, Roberto; Malloci, Giuliano; Bosin, Andrea; Serra, Giovanni - SPIE - The International Society for Optical Engineering
Extracting conformational ensembles of small molecules from molecular dynamics simulations: ampicillin as a test case 1-gen-2016 Malloci, Giuliano; Serra, Giovanni; Bosin, Andrea; Vargiu, ATTILIO VITTORIO COMPUTATION -
Exploiting the porin pathway for polar compound delivery into Gram-negative bacteria 1-gen-2016 Scorciapino, MARIANO ANDREA; D'Agostino, Tommaso; ACOSTA GUTIERREZ, Silvia; Malloci, Giuliano; Bodrenko, Igor; Ceccarelli, Matteo FUTURE MEDICINAL CHEMISTRY -
Antimicrobial compounds database 1-gen-2015 Malloci, Giuliano - Dipartimento di Fisica - UniCA
Computational investigation on the electronic, optical and transport properties of hexathiapentacene in the molecular and solid phases 1-gen-2015 Cappellini, Giancarlo; Cardia, R; Malloci, Giuliano - -
Effects of substitution and functionalization on the electronic, optical, and transport properties of polycyclic aromatic hydrocarbons 1-gen-2015 Cardia, Roberto; Malloci, Giuliano; Cappellini, Giancarlo - -
OACagliari VAMDC QChITool Software 1-gen-2015 Saba, Andrea; Mulas, Giacomo; Malloci, Giuliano - Osservatorio Astronomico di Cagliari - INAF
A database of force-field parameters, dynamics, and properties of antimicrobial compounds 1-gen-2015 Malloci, Giuliano; Vargiu, ATTILIO VITTORIO; Serra, Giovanni; Bosin, Andrea; Ruggerone, Paolo; Ceccarelli, Matteo MOLECULES -
Computational investigation on the effect of halogen substitution on the electronic, optical, and transport properties of guanine 1-gen-2015 Cappellini, Giancarlo; Cardia, Roberto; Malloci, Giuliano - -
Electronic and Optical properties of Hexathiapentacene within TD(DFT) schemes 1-gen-2014 Cardia, R.; Malloci, G.; Cappellini, Giancarlo - -
Angular and Compact Dibenzochrysene: the Role of Functionalizations on their Electronic and Optical Properties 1-gen-2014 Cardia, R; Cappellini, Giancarlo; Malloci, G; Mattoni, A. - -
Mostrati risultati da 41 a 60 di 129
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