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G. Malloci · SciRah

Researcher profile · Semantic Scholar

G. Malloci

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G. Malloci — researcher profile on SciRah

h-index: 34
Works: 155
Citations: 3,021

Most-cited papers

The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model
L. Moynié, S. Milenkovic, G. L. Mislin, V. Gasser +7 more
2019Nature Communications98 citations Open access
Semantic Scholar
Bacterial Outer Membrane Porins as Electrostatic Nanosieves: Exploring Transport Rules of Small Polar Molecules.
Harsha Bajaj, Silvia Acosta Gutiérrez, I. Bodrenko, G. Malloci +3 more
2017ACS Nano90 citations Open access
Semantic Scholar
Chlorpromazine and Amitriptyline Are Substrates and Inhibitors of the AcrB Multidrug Efflux Pump
E. Grimsey, Chiara Fais, Robert L. Marshall, V. Ricci +7 more
2020mBio77 citations Open access
Semantic Scholar
Molecular Rationale behind the Differential Substrate Specificity of Bacterial RND Multi-Drug Transporters
Venkata K. Ramaswamy, A. Vargiu, G. Malloci, Jürg Dreier +1 more
2017Scientific Reports65 citations Open access
Semantic Scholar
Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps
C. Ple, H. Tam, A. Vieira Da Cruz, Nina Compagne +16 more
2022Nature Communications59 citations Open access
Semantic Scholar
The challenge of intracellular antibiotic accumulation, a function of fluoroquinolone influx versus bacterial efflux
Julia Vergalli, Alessio Atzori, Jelena Pajović, Estelle Dumont +7 more
2020Communications Biology59 citations Open access
Semantic Scholar
Perturbed structural dynamics underlie inhibition and altered efflux of the multidrug resistance pump AcrB
E. Reading, Zainab Ahdash, Chiara Fais, V. Ricci +12 more
2020Nature Communications54 citations Open access
Semantic Scholar
A Database of Force-Field Parameters, Dynamics, and Properties of Antimicrobial Compounds
G. Malloci, A. Vargiu, Giovanni Serra, A. Bosin +2 more
2015Molecules54 citations Open access
Semantic Scholar
Effects of TIPS-functionalization and perhalogenation on the electronic, optical, and transport properties of angular and compact dibenzochrysene.
R. Cardia, G. Malloci, A. Mattoni, G. Cappellini
2014Journal of Physical Chemistry A52 citations
Semantic Scholar
Binding and transport of carboxylated drugs by the multidrug transporter AcrB
H. Tam, V. Malviya, W. Foong, Andrea Herrmann +4 more
2019Journal of Molecular Biology50 citations Open access
Semantic Scholar
Water-mediated interactions enable smooth substrate transport in a bacterial efflux pump
A. Vargiu, Venkata K. Ramaswamy, Ivana Malvacio, G. Malloci +2 more
2017bioRxiv48 citations Open access
Semantic Scholar
Structural and functional analysis of the promiscuous AcrB and AdeB efflux pumps suggests different drug binding mechanisms
A. Ornik-Cha, J. Wilhelm, Jessica Kobylka, H. Sjuts +6 more
2021Nature Communications46 citations Open access
Semantic Scholar
Molecular Determinants of the Promiscuity of MexB and MexY Multidrug Transporters of Pseudomonas aeruginosa
Venkata K. Ramaswamy, A. Vargiu, G. Malloci, Jürg Dreier +1 more
2018Frontiers in Microbiology46 citations Open access
Semantic Scholar
The effect of selective interactions at the interface of polymer–oxide hybrid solar cells
E. Canesi, M. Binda, Antonio Abate, S. Guarnera +17 more
201246 citations
Semantic Scholar
Holo-like and Druggable Protein Conformations from Enhanced Sampling of Binding Pocket Volume and Shape
Andrea Basciu, G. Malloci, F. Pietrucci, A. Bonvin +1 more
2019Journal of Chemical Information and Modeling44 citations Open access
Semantic Scholar
Interfacial Engineering of P3HT/ZnO Hybrid Solar Cells Using Phthalocyanines: A Joint Theoretical and Experimental Investigation
G. Mattioli, Sadok Ben Dkhil, M. Saba, G. Malloci +12 more
201440 citations
Semantic Scholar
Computer simulations of the activity of RND efflux pumps.
A. Vargiu, Venkata K. Ramaswamy, G. Malloci, Ivana Malvacio +2 more
2018Research in Microbiology39 citations Open access
Semantic Scholar
Bacterial efflux transporters’ polyspecificity - a gift and a curse?
H. Zgurskaya, G. Malloci, B. Chandar, A. Vargiu +1 more
2021Current Opinion in Microbiology37 citations Open access
Semantic Scholar
A New Critical Conformational Determinant of Multidrug Efflux by an MFS Transporter.
Elia Zomot, E. Yardeni, A. Vargiu, H. Tam +6 more
2018Journal of Molecular Biology34 citations Open access
Semantic Scholar
Predictive Rules of Efflux Inhibition and Avoidance in Pseudomonas aeruginosa
J. Mehla, G. Malloci, R. Mansbach, C. López +18 more
2021mBio33 citations Open access
Semantic Scholar
Computational modelling of efflux pumps and their inhibitors.
Venkata K. Ramaswamy, Pierpaolo Cacciotto, G. Malloci, A. Vargiu +1 more
2017Essays in Biochemistry32 citations Open access
Semantic Scholar
Electronic and optical properties of hexathiapentacene in the gas and crystal phases
R. Cardia, G. Malloci, G.-M. Rignanese, X. Blase +2 more
201632 citations
Semantic Scholar
Molecular Evolution of Multivalent OncoFAP Derivatives with Enhanced Tumor Uptake and Prolonged Tumor Retention.
A. Galbiati, Matilde Bocci, S. Gervasoni, Eleonora Prodi +3 more
2024Journal of Medicinal Chemistry29 citations
Semantic Scholar
Tripartite efflux pumps of the RND superfamily: what did we learn from computational studies?
M. Athar, S. Gervasoni, Andrea Catte, Andrea Basciu +3 more
2023Microbiology29 citations Open access
Semantic Scholar
Rationalizing the permeation of polar antibiotics into Gram-negative bacteria
M. A. Scorciapino, S. Acosta-Gutiérrez, Dehbia Benkerrou, Tommaso D’Agostino +4 more
2017Journal of Physics: Condensed Matter29 citations Open access
Semantic Scholar
Tuning Optical Properties of Dibenzochrysenes by Functionalization: A Many-Body Perturbation Theory Study
Nicolas Dardenne, R. Cardia, Jing Li, G. Malloci +4 more
201726 citations
Semantic Scholar
Identification and characterization of carbapenem binding sites within the RND-transporter AcrB.
Alessio Atzori, V. Malviya, G. Malloci, Jürg Dreier +3 more
2019Biochimica et Biophysica Acta - Biomembranes25 citations Open access
Semantic Scholar
Molecular Interactions of Cephalosporins with the Deep Binding Pocket of the RND Transporter AcrB
Alessio Atzori, G. Malloci, J. D. Prajapati, Andrea Basciu +5 more
2019Journal of Physical Chemistry B21 citations Open access
Semantic Scholar
Extracting Conformational Ensembles of Small Molecules from Molecular Dynamics Simulations: Ampicillin as a Test Case
G. Malloci, Giovanni Serra, A. Bosin, A. Vargiu
2016De Computis19 citations Open access
Semantic Scholar
Electronic Properties and Quantum Confinement in Bi2S3 Ribbon-Like Nanostructures
Vasco Calzia, G. Malloci, G. Bongiovanni, A. Mattoni
201319 citations
Semantic Scholar
Mechanistic Duality of Bacterial Efflux Substrates and Inhibitors: Example of Simple Substituted Cinnamoyl and Naphthyl Amides
Napoleon D'Cunha, M. Moniruzzaman, Keith M. Haynes, G. Malloci +11 more
2021ACS Infectious Diseases18 citations Open access
Semantic Scholar
Molecular determinants of avoidance and inhibition of Pseudomonas aeruginosa MexB efflux pump
S. Gervasoni, J. Mehla, Charles Bergen, I. V. Leus +8 more
2023bioRxiv17 citations Open access
Semantic Scholar
AB-DB: Force-Field parameters, MD trajectories, QM-based data, and Descriptors of Antimicrobials
S. Gervasoni, G. Malloci, A. Bosin, A. Vargiu +2 more
2022Scientific Data17 citations Open access
Semantic Scholar
Computational investigation of the effects of perfluorination on the charge-transport properties of polyaromatic hydrocarbons
R. Cardia, G. Malloci, A. Bosin, Giovanni Serra +1 more
201617 citations Open access
Semantic Scholar
Peptide Stereochemistry Effects from pKa-Shift to Gold Nanoparticle Templating in a Supramolecular Hydrogel.
Simone Adorinni, S. Gentile, Ottavia Bellotto, S. Kralj +11 more
2024ACS Nano15 citations Open access
Semantic Scholar
Recognition of quinolone antibiotics by the multidrug efflux transporter MexB of Pseudomonas aeruginosa
S. Gervasoni, G. Malloci, A. Bosin, A. Vargiu +2 more
2022Physical Chemistry, Chemical Physics - PCCP15 citations Open access
Semantic Scholar
Molecular Interactions of Carbapenem Antibiotics with the Multidrug Efflux Transporter AcrB of Escherichia coli
Alessio Atzori, G. Malloci, Francesca Cardamone, A. Bosin +2 more
2020International Journal of Molecular Sciences15 citations Open access
Semantic Scholar
Exploiting the porin pathway for polar compound delivery into Gram-negative bacteria.
M. A. Scorciapino, Tommaso D’Agostino, S. Acosta-Gutiérrez, G. Malloci +2 more
2016Future Medicinal Chemistry15 citations Open access
Semantic Scholar
Optoelectronic properties of (ZnO)60 isomers.
C. Caddeo, G. Malloci, F. De Angelis, L. Colombo +1 more
2012Physical Chemistry, Chemical Physics - PCCP15 citations
Semantic Scholar
Multidrug efflux pumps and their inhibitors characterized by computational modeling
Venkata K. Ramaswamy, Pierpaolo Cacciotto, G. Malloci, P. Ruggerone +1 more
201613 citations
Semantic Scholar
Electronic Properties of Hybrid Zinc Oxide–Oligothiophene Nanostructures
C. Caddeo, G. Malloci, G. Rignanese, L. Colombo +1 more
201212 citations
Semantic Scholar
Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps
C. Ple, H. Tam, A. Vieira Da Cruz, Nina Compagne +16 more
2022Nature Communications11 citations Open access
Semantic Scholar
Inhibition of the drug efflux activity of Ptch1 as a promising strategy to overcome chemotherapy resistance in cancer cells.
S. Kovachka, G. Malloci, Méliné Simsir, P. Ruggerone +2 more
2022European journal of medicinal chemistry11 citations Open access
Semantic Scholar
Time-Dependent Density Functional Theory Investigation on the Electronic and Optical Properties of Poly-C,Si,Ge-acenes
P. Mocci, G. Malloci, A. Bosin, G. Cappellini
2020ACS Omega11 citations Open access
Semantic Scholar
Role of molecular thermodynamical processes at functionalized polymer/metaloxide interfaces for photovoltaics
G. Malloci, M. Binda, A. Petrozza, A. Mattoni
201311 citations
Semantic Scholar
Toward the Prediction of Binding Events in Very Flexible, Allosteric, Multidomain Proteins
Andrea Basciu, Mohd Athar, Han Kurt, Christine Neville +6 more
2025Journal of Chemical Information and Modeling10 citations Open access
Semantic Scholar
Molecular simulations of SSTR2 dynamics and interaction with ligands
S. Gervasoni, C. Guccione, V. Fanti, A. Bosin +4 more
2023Scientific Reports10 citations Open access
Semantic Scholar
A framework for dissecting affinities of multidrug efflux transporter AcrB to fluoroquinolones
Julia Vergalli, H. Chauvet, Francesco Oliva, Jelena Pajović +5 more
2022Communications Biology10 citations Open access
Semantic Scholar
Complexes formed by the siderophore-based monosulfactam antibiotic BAL30072 and their interaction with the outer membrane receptor PiuA of P. aeruginosa
M. A. Scorciapino, G. Malloci, Ilaria Serra, S. Milenkovic +5 more
2019Biometals10 citations
Semantic Scholar
Coupling enhanced sampling of the apo-receptor with template-based ligand conformers selection: performance in pose prediction in the D3R Grand Challenge 4
Andrea Basciu, Panagiotis I. Koukos, G. Malloci, A. Bonvin +1 more
2019Journal of Computer-Aided Molecular Design10 citations Open access
Semantic Scholar

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Venkata K. Ramaswamy×7
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