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51

Computational investigation of the effects of perfluorination on the charge-transport properties of polyaromatic hydrocarbons

Cardia, R., Malloci, G., Bosin, A., Serra, G., Cappellini, G.

Journal:

Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.97 MB

english, 2016

52

Electronic and optical properties of hexathiapentacene in the gas and crystal phases

Cardia, R., Malloci, G., Rignanese, G.-M., Blase, X., Molteni, E., Cappellini, G.

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 1.12 MB

english, 2016

53

Aerobic granulation with petrochemical wastewater in a sequencing batch reactor under different operating conditions

Milia, Stefano, Malloci, Emanuela, Carucci, Alessandra

Journal:

DESALINATION AND WATER TREATMENT

Year:

2016

Language:

english

File:

PDF, 1.12 MB

english, 2016

54

Estimated IR and phosphorescence emission fluxes for specific polycyclic aromatic hydrocarbons in the Red Rectangle

Mulas, G., Malloci, G., Joblin, C., Toublanc, D.

Journal:

Astronomy and Astrophysics

Year:

2006

Language:

english

File:

PDF, 2.51 MB

english, 2006

55

Rationalizing the permeation of polar antibiotics into Gram-negative bacteria

Scorciapino, Mariano Andrea, Acosta-Gutierrez, Silvia, Benkerrou, Dehbia, D’Agostino, Tommaso, Malloci, Giuliano, Samanta, Susruta, Bodrenko, Igor, Ceccarelli, Matteo

Journal:

Journal of Physics Condensed Matter

Year:

2017

Language:

english

File:

PDF, 1.79 MB

english, 2017

56

Investigation of Siderophore-Monobactam Antibiotic Derivatives: Their Iron(III)-Complexes and Binding to Receptors

Scorciapino, Mariano A., Malloci, Giuliano, Ceccarelli, Matteo, Moynie, Lucile, Naismith, James H., Desarbre, Eric, Page, Malcolm

Journal:

Biophysical Journal

Year:

2017

Language:

english

File:

PDF, 69 KB

english, 2017

57

Molecular Rationale Behind the Differential Substrate Specificity of RND Transporters AcrB and AcrD

Krishnan Ramaswamy, Venkata, Malloci, Giuliano, Vittorio Vargiu, Attilio, Ruggerone, Paolo

Journal:

Biophysical Journal

Year:

2017

Language:

english

File:

PDF, 44 KB

english, 2017

58

Electronic absorption spectra of PAHs up to vacuum UV

Malloci, G., Mulas, G., Joblin, C.

Journal:

Astronomy and Astrophysics

Year:

2004

Language:

english

File:

PDF, 3.25 MB

english, 2004

59

Computational Study of the Interaction between Antimicrobial Compounds and Efflux Systems of Gram-Negative Bacteria

Atzori, Alessio, Vittorio Vargiu, Attilio, Malloci, Giuliano, Ruggerone, Paolo

Journal:

Biophysical Journal

Year:

2017

Language:

english

File:

PDF, 44 KB

english, 2017

60

Theoretical evaluation of PAH dication properties

Malloci, G., Joblin, C., Mulas, G.

Journal:

Astronomy and Astrophysics

Year:

2007

Language:

english

File:

PDF, 268 KB

english, 2007

61

Theoretical electron affinities of PAHs and electronic absorption spectra of their mono-anions

Malloci, G., Mulas, G., Cappellini, G., Fiorentini, V., Porceddu, I.

Journal:

Astronomy and Astrophysics

Year:

2005

Language:

english

File:

PDF, 664 KB

english, 2005

62

Transport Mechanism in the RND Transporter AcrD of E. coli

Vargiu, Attilio V., Krishnan, Venkata R., Malloci, Giuliano, Ruggerone, Paolo

Journal:

Biophysical Journal

Year:

2017

Language:

english

File:

PDF, 43 KB

english, 2017

63

Filtering with the Electric Field: A Story on Protein Channels Electrostatics

Acosta-Gutierrez, Silvia, Malloci, Giuliano, Bodrenko, Igor, Andrea Scorciapino, Mariano, Ceccarelli, Matteo

Journal:

Biophysical Journal

Year:

2017

Language:

english

File:

PDF, 45 KB

english, 2017

64

Binding of Antibiotics to the Multidrug Efflux Pump AcrB of E. coli Investigated by Molecular Docking

Malloci, Giuliano, Serra, Giovanni, Bosin, Andrea, Vittorio Vargiu, Attilio, Ruggerone, Paolo

Journal:

Biophysical Journal

Year:

2017

Language:

english

File:

PDF, 61 KB

english, 2017

65

Bacterial Outer Membrane Porins as Electrostatic Nanosieves: Exploring Transport Rules of Small Polar Molecules

Bajaj, Harsha, Acosta Gutierrez, Silvia, Bodrenko, Igor, Malloci, Giuliano, Scorciapino, Mariano Andrea, Winterhalter, Mathias, Ceccarelli, Matteo

Journal:

Year:

2017

Language:

english

File:

PDF, 1.73 MB

english, 2017

66

Modelling photoluminescence from small particles

Malloci, G., Mulas, G., Benvenuti, P.

Journal:

Astronomy and Astrophysics

Year:

2004

Language:

english

File:

PDF, 635 KB

english, 2004

67

Switched system modeling and robust steering control of the tail end phase in a hot strip mill

Malloci, I., Daafouz, J., Iung, C., Szczepanski, P.

Journal:

IFAC Proceedings Volumes

Year:

2009

Language:

english

File:

PDF, 197 KB

english, 2009

68

Changes of mitochondrial dynamic evoked by circulating exosomes are associated to endothelial dysfunction in metabolic syndrome

Malloci, M., Esnault, M., Dubois, S., Boursier, J., Gagnadoux, F., Andriantsitohaina, R., Simard, G., Martinez, M.

Journal:

Archives of Cardiovascular Diseases Supplements

Year:

2017

Language:

english

File:

PDF, 29 KB

english, 2017

69

Molecular Rationale behind the Differential Substrate Specificity of Bacterial RND Multi-Drug Transporters

Ramaswamy, Venkata Krishnan, Vargiu, Attilio V., Malloci, Giuliano, Dreier, Jürg, Ruggerone, Paolo

Journal:

Scientific Reports

Year:

2017

Language:

english

File:

PDF, 5.11 MB

english, 2017

70

Tuning Optical Properties of Dibenzochrysenes by Functionalization: A Many-Body Perturbation Theory Study

Dardenne, Nicolas, Cardia, Roberto, Li, Jing, Malloci, Giuliano, Cappellini, Giancarlo, Blase, Xavier, Charlier, Jean-Christophe, Rignanese, Gian-Marco

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 3.26 MB

english, 2017

71

Water-mediated interactions enable smooth substrate transport in a bacterial efflux pump

Vargiu, Attilio Vittorio, Ramaswamy, Venkata Krishnan, Malvacio, Ivana, Malloci, Giuliano, Kleinekathöfer, Ulrich, Ruggerone, Paolo

Journal:

Biochimica et Biophysica Acta (BBA) - General Subjects

Year:

2018

Language:

english

File:

PDF, 1.68 MB

english, 2018

72

Computer simulations of the activity of RND efflux pumps

Vargiu, Attilio Vittorio, Ramaswamy, Venkata Krishnan, Malloci, Giuliano, Malvacio, Ivana, Atzori, Alessio, Ruggerone, Paolo

Journal:

Research in Microbiology

Year:

2018

Language:

english

File:

PDF, 2.67 MB

english, 2018

73

Bacterial Porins as Electrostatic Nanosieves: Exploring Transport Rules of Small Polar Molecules

Bajaj, Harsha, Acosta Gutierrez, Silvia, Bodrenko, Igor, Malloci, Giuliano, Andrea Scorciapino, Mariano, Winterhalter, Mathias, Ceccarelli, Matteo

Journal:

Biophysical Journal

Year:

2018

Language:

english

File:

PDF, 46 KB

english, 2018

74

A new critical conformational determinant of multidrug efflux by an MFS transporter

Zomot, Elia, Yardeni, Eliane Hadas, Vargiu, Attilio Vittorio, Tam, Heng-Keat, Malloci, Giuliano, Ramaswamy, Venkata Krishnan, Perach, Michal, Ruggerone, Paolo, Pos, Klaas Martinus, Bibi, Eitan

Journal:

Journal of Molecular Biology

Year:

2018

Language:

english

File:

PDF, 23.42 MB

english, 2018

75

Extracting Conformational Ensembles of Small Molecules from Molecular Dynamics Simulations: Ampicillin as a Test Case

Malloci, Giuliano, Serra, Giovanni, Bosin, Andrea, Vargiu, Attilio

Journal:

Year:

2016

Language:

english

File:

PDF, 6.43 MB

english, 2016

76

Molecular Determinants of the Promiscuity of MexB and MexY Multidrug Transporters of Pseudomonas aeruginosa

Ramaswamy, Venkata K., Vargiu, Attilio V., Malloci, Giuliano, Dreier, Jürg, Ruggerone, Paolo

Journal:

Frontiers in Microbiology

Year:

2018

Language:

english

File:

PDF, 4.22 MB

english, 2018

77

A Database of Force-Field Parameters, Dynamics, and Properties of Antimicrobial Compounds

Malloci, Giuliano, Vargiu, Attilio, Serra, Giovanni, Bosin, Andrea, Ruggerone, Paolo, Ceccarelli, Matteo

Journal:

Year:

2015

Language:

english

File:

PDF, 2.46 MB

english, 2015

78

Computational modelling of efflux pumps and their inhibitors

Ramaswamy, Venkata Krishnan, Cacciotto, Pierpaolo, Malloci, Giuliano, Vargiu, Attilio V., Ruggerone, Paolo

Journal:

Essays in Biochemistry

Year:

2017

Language:

english

File:

PDF, 2.07 MB

english, 2017

79

Identification and characterization of carbapenem binding sites within the RND-transporter AcrB

Atzori, Alessio, Malviya, Viveka N., Malloci, Giuliano, Dreier, Jürg, Pos, Klaas M., Vargiu, Attilio V., Ruggerone, Paolo

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Year:

2018

Language:

english

File:

PDF, 1.84 MB

english, 2018

80

Phenotyping of circulating extracellular vesicles (EVs) in obesity identifies large EVs as functional conveyors of Macrophage Migration Inhibitory Factor

Amosse, Jérémy, Durcin, Maëva, Malloci, Marine, Vergori, Luisa, Fleury, Audrey, Gagnadoux, Frédéric, Dubois, Séverine, Simard, Gilles, Boursier, Jérôme, Hue, Olivier, Martinez, M. Carmen, Andriantsito

Journal:

Molecular Metabolism

Year:

2018

Language:

english

File:

PDF, 963 KB

english, 2018

81

The role of the charge state of PAHs in ultraviolet extinction

Cecchi-Pestellini, C., Malloci, G., Mulas, G., Joblin, C., Williams, D. A.

Journal:

Astronomy and Astrophysics

Year:

2008

Language:

english

File:

PDF, 159 KB

english, 2008

82

Complexes formed by the siderophore-based monosulfactam antibiotic BAL30072 and their interaction with the outer membrane receptor PiuA of P. aeruginosa

Scorciapino, Mariano Andrea, Malloci, Giuliano, Serra, Ilaria, Milenkovic, Stefan, Moynié, Lucile, Naismith, James H., Desarbre, Eric, Page, Malcolm G. P., Ceccarelli, Matteo

Journal:

Year:

2019

Language:

english

File:

PDF, 3.98 MB

english, 2019

83

[IEEE 2009 European Control Conference (ECC) - Budapest (2009.8.23-2009.8.26)] 2009 European Control Conference (ECC) - Robust steering control of hot strip mill

Malloci, Ivan, Daafouz, Jamal, Iung, Claude, Bonidal, Remi, Szczepanski, Patrick

Year:

2009

File:

PDF, 398 KB

2009

84

Molecular Interactions of Cephalosporins with the Deep Binding Pocket of RND-Transporter AcrB

Atzori, Alessio, Malloci, Giuliano, Prajapati, Jigneshkumar Dahyabhai, Basciu, Andrea, Bosin, Andrea, Kleinekathöfer, Ulrich, Dreier, Jürg, Vargiu, Attilio Vittorio, Ruggerone, Paolo

Journal:

Journal of Physical Chemistry B

Year:

2019

Language:

english

File:

PDF, 1.08 MB

english, 2019

85

Molecular Interactions of Cephalosporins with the Deep Binding Pocket of RND-Transporter AcrB

Atzori, Alessio, Malloci, Giuliano, Prajapati, Jigneshkumar Dahyabhai, Basciu, Andrea, Bosin, Andrea, Kleinekathöfer, Ulrich, Dreier, Jürg, Vargiu, Attilio Vittorio, Ruggerone, Paolo

Journal:

Journal of Physical Chemistry B

Year:

2019

File:

PDF, 1.08 MB

2019

86

The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model

Moynié, Lucile, Milenkovic, Stefan, Mislin, Gaëtan L. A., Gasser, Véronique, Malloci, Giuliano, Baco, Etienne, McCaughan, Rory P., Page, Malcolm G. P., Schalk, Isabelle J., Ceccarelli, Matteo, Naismit

Journal:

Nature Communications

Year:

2019

Language:

english

File:

PDF, 3.42 MB

english, 2019

87

Dehydrogenated polycyclic aromatic hydrocarbons and UV bump

Malloci, G., Mulas, G., Cecchi-Pestellini, C., Joblin, C.

Journal:

Astronomy and Astrophysics

Year:

2008

Language:

english

File:

PDF, 344 KB

english, 2008

88

Dehydrogenated polycyclic aromatic hydrocarbons and UV bump

Malloci, G., Mulas, G., Cecchi-Pestellini, C., Joblin, C.

Journal:

Astronomy and Astrophysics

Year:

2008

File:

PDF, 344 KB

2008

89

La Esplorazione Rettale E La Urografia Nella Valutazione Del Volume Della Prostata Ipertrofica

Floris, F., Malloci, A.

Journal:

Rivista Urologia

Year:

1984

Language:

italian

File:

PDF, 588 KB

italian, 1984

90

La Chemioprofilassi Con Doxorubicina Nei Carcinomi Superficiali Della Vescica

Floris, F., Malloci, A., Farina, G.

Journal:

Rivista Urologia

Year:

1986

Language:

italian

File:

PDF, 596 KB

italian, 1986

91

Molecular Interactions of Carbapenem Antibiotics with the Multidrug Efflux Transporter AcrB of Escherichia coli

Atzori, Alessio, Malloci, Giuliano, Cardamone, Francesca, Bosin, Andrea, Vargiu, Attilio Vittorio, Ruggerone, Paolo

Journal:

International Journal of Molecular Sciences

Year:

2020

File:

PDF, 5.75 MB

2020

92

EDES: A Protocol to Generate Holo-Like and Druggable Protein Conformations Starting from the APO Structure

Basciu, Andrea, Malloci, Giuliano, Koukos, Panos, Pietrucci, Fabio, Bonvin, Alexandre M.J.J., Vargiu, Attilio V.

Journal:

Biophysical Journal

Year:

2020

File:

PDF, 49 KB

2020

93

Robotic Kidney Transplantation in an Athlete With End-stage Renal Disease. A Case Report

Frongia, Mauro, Solinas, Andrea, Cadoni, Rossano, Malloci, Stefano

Journal:

Transplantation Direct

Year:

2020

Language:

english

File:

PDF, 454 KB

english, 2020

94

The challenge of intracellular antibiotic accumulation, a function of fluoroquinolone influx versus bacterial efflux

Vergalli, Julia, Atzori, Alessio, Pajovic, Jelena, Dumont, Estelle, Malloci, Giuliano, Masi, Muriel, Vargiu, Attilio Vittorio, Winterhalter, Mathias, RÃ©frÃ©giers, Matthieu, Ruggerone, Paolo, PagÃ¨s,

Journal:

Communications Biology

Year:

2020

File:

PDF, 1.64 MB

2020

95

Chlorpromazine and Amitriptyline Are Substrates and Inhibitors of the AcrB Multidrug Efflux Pump

Grimsey, Elizabeth M., Fais, Chiara, Marshall, Robert L., Ricci, Vito, Ciusa, Maria Laura, Stone, Jack W., Ivens, Alasdair, Malloci, Giuliano, Ruggerone, Paolo, Vargiu, Attilio V., Piddock, Laura J. V

Journal:

Year:

2020

File:

PDF, 2.35 MB

2020

96

Diagnostics for specific PAHs in the far-IR: searching neutral naphthalene and anthracene in the Red Rectangle

Mulas, G., Malloci, G., Joblin, C., Toublanc, D.

Journal:

Astronomy and Astrophysics

Year:

2006

File:

PDF, 738 KB

2006

97

Time-Dependent Density Functional Theory Investigation on the Electronic and Optical Properties of Poly-C,Si,Ge-acenes

Mocci, Paola, Malloci, Giuliano, Bosin, Andrea, Cappellini, Giancarlo

Journal:

Year:

2020

File:

PDF, 2.62 MB

2020

98

A general model for the identification of specific PAHs in the far-IR

Mulas, G., Malloci, G., Joblin, C., Toublanc, D.

Journal:

Astronomy and Astrophysics

Year:

2006

File:

PDF, 1.15 MB

2006

99

Perturbed structural dynamics underlie inhibition and altered efflux of the multidrugÂ resistance pump AcrB

Reading, Eamonn, Ahdash, Zainab, Fais, Chiara, Ricci, Vito, Wang-Kan, Xuan, Grimsey, Elizabeth, Stone, Jack, Malloci, Giuliano, Lau, Andy M., Findlay, Heather, Konijnenberg, Albert, Booth, Paula J., R

Journal:

Nature Communications

Year:

2020

File:

PDF, 1.83 MB

2020

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