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TitoloData di pubblicazioneAutore(i)RivistaEditore
Binding and Transport of Carboxylated Drugs by the Multidrug Transporter AcrB2020Tam, HK; Malviya, VN; Foong, WE; Herrmann, A; Malloci, G; Ruggerone, P; Vargiu, AV; Pos, KMJOURNAL OF MOLECULAR BIOLOGY
Molecular interactions of carbapenem antibiotics with the multidrug efflux transporter acrb of escherichia coli2020Atzori, A.; Malloci, G.; Cardamone, F.; Bosin, A.; Vargiu, A. V.; Ruggerone, P.INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
The challenge of intracellular antibiotic accumulation, a function of fluoroquinolone influx versus bacterial efflux2020Vergalli, J.; Atzori, A.; Pajovic, J.; Dumont, E.; Malloci, G.; Masi, M.; Vargiu, A. V.; Winterha...lter, M.; Refregiers, M.; Ruggerone, P.; Pages, J. -M.COMMUNICATIONS BIOLOGY
Time-Dependent Density Functional Theory Investigation on the Electronic and Optical Properties of Poly-C,Si,Ge-acenes2020Mocci, P.; Malloci, G.; Bosin, A.; Cappellini, G.ACS OMEGA
Chlorpromazine and amitriptyline are substrates and inhibitors of the acrb multidrug efflux pump2020Grimsey, E. M.; Fais, C.; Marshall, R. L.; Ricci, V.; Ciusa, M. L.; Stone, J. W.; Ivens, A.; Mall...oci, G.; Ruggerone, P.; Vargiu, A. V.; Piddock, L. J. V.MBIO
Coupling enhanced sampling of the apo-receptor with template-based ligand conformers selection: performance in pose prediction in the D3R Grand Challenge 42020Basciu, A.; Koukos, P. I.; Malloci, G.; Bonvin, A. M. J. J.; Vargiu, A. V.JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
Identification and characterization of carbapenem binding sites within the RND-transporter AcrB2019Atzori, Alessio; Malviya, Viveka N.; Malloci, Giuliano; Dreier, Jürg; Pos, Klaas M.; Vargiu, Atti...lio V.; Ruggerone, PaoloBIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model2019Moynié, Lucile; Milenkovic, Stefan; Mislin, Gaëtan L. A.; Gasser, Véronique; Malloci, Giuliano; B...aco, Etienne; Mccaughan, Rory P.; Page, Malcolm G. P.; Schalk, Isabelle J.; Ceccarelli, Matteo; Naismith, James H.NATURE COMMUNICATIONS
Molecular Interactions of Cephalosporins with the Deep Binding Pocket of the RND Transporter AcrB2019Atzori, Alessio; Malloci, Giuliano; Dahyabhai Prajapati, Jigneshkumar; Basciu, Andrea; Bosin, And...rea; Kleinekathöfer, Ulrich; Dreier, Jürg; Vargiu, Attilio V.; Ruggerone, PaoloJOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
Holo-like and Druggable Protein Conformations from Enhanced Sampling of Binding Pocket Volume and Shape2019Basciu, A.; Malloci, G.; Pietrucci, F.; Bonvin, A. M. J. J.; Vargiu, A. V.JOURNAL OF CHEMICAL INFORMATION AND MODELING
Complexes formed by the siderophore-based monosulfactam antibiotic BAL30072 and their interaction with the outer membrane receptor PiuA of P. aeruginosa2019Scorciapino, Mariano Andrea; Malloci, Giuliano; Serra, Ilaria; Milenkovic, Stefan; Moynié, Lucile...; Naismith, James H.; Desarbre, Eric; Page, Malcolm G. P.; Ceccarelli, MatteoBIOMETALS
Molecular Determinants of the Promiscuity of MexB and MexY Multidrug Transporters of Pseudomonas aeruginosa2018Ramaswamy, Venkata K.; Vargiu, Attilio V.; Malloci, Giuliano; Dreier, Jürg; Ruggerone, PaoloFRONTIERS IN MICROBIOLOGY
Computer simulations of the activity of RND efflux pumps2018Vargiu, Attilio Vittorio; Ramaswamy, Venkata Krishnan; Malloci, Giuliano; Malvacio, Ivana; Atzori..., Alessio; Ruggerone, PaoloRESEARCH IN MICROBIOLOGY
A New Critical Conformational Determinant of Multidrug Efflux by an MFS Transporter2018Zomot, Elia; Yardeni, Eliane Hadas; Vargiu, Attilio Vittorio; Tam, Heng-Keat; Malloci, Giuliano; ...Ramaswamy, Venkata Krishnan; Perach, Michal; Ruggerone, Paolo; Pos, Klaas Martinus; Bibi, EitanJOURNAL OF MOLECULAR BIOLOGY
Molecular Modeling of Multidrug Properties of Resistance Nodulation Division (RND) Transporters2018Cacciotto, Pierpaolo; Ramaswamy, Venkata K; Malloci, Giuliano; Ruggerone, Paolo; Vargiu, Attilio V.Humana Press
Water-mediated interactions enable smooth substrate transport in a bacterial efflux pump2018Vargiu, Attilio Vittorio; Ramaswamy, Venkata Krishnan; Malvacio, Ivana; Malloci, Giuliano; Kleine...kathöfer, Ulrich; Ruggerone, PaoloBIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS
Coding for physics2018Zurru, A.; Intina, S.; Malloci, G.; Fanti, V.; Carbonaro, C. M.
Molecular Rationale behind the Differential Substrate Specificity of Bacterial RND Multi-Drug Transporters2017Ramaswamy, Venkata Krishnan; Vargiu, Attilio V.; Malloci, Giuliano; Dreier, Jürg; Ruggerone, PaoloSCIENTIFIC REPORTS
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
   
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