MALLOCI, GIULIANO
MALLOCI, GIULIANO
DIPARTIMENTO DI FISICA
Toward the Prediction of Binding Events in Very Flexible, Allosteric, Multidomain Proteins
2025-01-01 Basciu, Andrea; Athar, Mohd; Kurt, Han; Neville, Christine; Malloci, Giuliano; Muredda, Fabrizio C.; Bosin, Andrea; Ruggerone, Paolo; Bonvin, Alexandre M. J. J.; Vargiu, Attilio V.
An improved dataset of force fields, electronic and physicochemical descriptors of metabolic substrates
2024-01-01 Macorano, Alessio; Mazzolari, Angelica; Malloci, Giuliano; Pedretti, Alessandro; Vistoli, Giulio; Gervasoni, Silvia
Exploring key features of selectivity in somatostatin receptors through molecular dynamics simulations
2024-01-01 Guccione, C.; Gervasoni, S.; Öztürk, I.; Bosin, A.; Ruggerone, P.; Malloci, G.
Force Fields, Quantum-Mechanical- and Molecular-Dynamics-Based Descriptors of Radiometal–Chelator Complexes
2024-01-01 Öztürk, Işılay; Gervasoni, Silvia; Guccione, Camilla; Bosin, Andrea; Vargiu, Attilio Vittorio; Ruggerone, Paolo; Malloci, Giuliano
Impact of corpus callosum integrity on functional interhemispheric connectivity and cognition in healthy subjects
2024-01-01 Porcu, Michele; Cocco, Luigi; Marrosu, Francesco; Cau, Riccardo; Suri, Jasjit S; Qi, Yang; Pineda, Victor; Bosin, Andrea; Malloci, Giuliano; Ruggerone, Paolo; Puig, Josep; Saba, Luca
Molecular Evolution of Multivalent OncoFAP Derivatives with Enhanced Tumor Uptake and Prolonged Tumor Retention
2024-01-01 Galbiati, Andrea; Bocci, Matilde; Gervasoni, Silvia; Prodi, Eleonora; Malloci, Giuliano; Neri, Dario; Cazzamalli, Samuele
Peptide Stereochemistry Effects from pKa-Shift to Gold Nanoparticle Templating in a Supramolecular Hydrogel
2024-01-01 Adorinni, Simone; Gentile, Serena; Bellotto, Ottavia; Kralj, Slavko; Parisi, Evelina; Cringoli, Maria C.; Deganutti, Caterina; Malloci, Giuliano; Piccirilli, Federica; Pengo, Paolo; Vaccari, Lisa; Geremia, Silvano; Vargiu, Attilio V.; De Zorzi, Rita; Marchesan, Silvia
Predicting permeation of compounds across the outer membrane of P. aeruginosa using molecular descriptors
2024-01-01 Manrique, Pedro D.; Leus, Inga V.; López, César A.; Mehla, Jitender; Malloci, Giuliano; Gervasoni, Silvia; Vargiu, Attilio V.; Kinthada, Rama K.; Herndon, Liam; Hengartner, Nicolas W.; Walker, John K.; Rybenkov, Valentin V.; Ruggerone, Paolo; Zgurskaya, Helen I.; Gnanakaran, S.
Effect of protonation on the UV/VUV photostability of cyano-substituted anthracene and phenanthrene
2023-01-01 Jacovella, U; Giuliani, A; Hansen, Cs; Trevitt, Aj; Nahon, L; Malloci, G; Mulas, G
Interaction of Radiopharmaceuticals with Somatostatin Receptor 2 Revealed by Molecular Dynamics Simulations
2023-01-01 Gervasoni, Silvia; Öztürk, Işılay; Guccione, Camilla; Bosin, Andrea; Ruggerone, Paolo; Malloci, Giuliano
Molecular determinants of avoidance and inhibition of Pseudomonas aeruginosa MexB efflux pump
2023-01-01 Gervasoni, Silvia; Mehla, Jitender; Bergen, Charles R; Leus, Inga V; Margiotta, Enrico; Malloci, Giuliano; Bosin, Andrea; Vargiu, Attilio V; Lomovskaya, Olga; Rybenkov, Valentin V; Ruggerone, Paolo; Zgurskaya, Helen I
Molecular simulations of SSTR2 dynamics and interaction with ligands
2023-01-01 Gervasoni, Silvia; Guccione, Camilla; Fanti, Viviana; Bosin, Andrea; Cappellini, Giancarlo; Golosio, Bruno; Ruggerone, Paolo; Malloci, Giuliano
Tripartite efflux pumps of the RND superfamily: what did we learn from computational studies?
2023-01-01 Athar, Mohd; Gervasoni, Silvia; Catte, Andrea; Basciu, Andrea; Malloci, Giuliano; Ruggerone, Paolo; Vargiu, Attilio Vittorio
A framework for dissecting affinities of multidrug efflux transporter AcrB to fluoroquinolones
2022-01-01 Vergalli, J.; Chauvet, H.; Oliva, F.; Pajovic, J.; Malloci, G.; Vargiu, A. V.; Refregiers, M.; Ruggerone, P.; Pages, J. -M.
AB-DB: Force-Field parameters, MD trajectories, QM-based data, and Descriptors of Antimicrobials
2022-01-01 Gervasoni, S.; Malloci, G.; Bosin, A.; Vargiu, A. V.; Zgurskaya, H. I.; Ruggerone, P.
Common recognition topology of mex transporters of Pseudomonas aeruginosa revealed by molecular modelling
2022-01-01 Catte, Andrea; K. Ramaswamy, Venkata; Vargiu, Attilio Vittorio; Malloci, Giuliano; Bosin, Andrea; Ruggerone, Paolo
Inhibition of the drug efflux activity of Ptch1 as a promising strategy to overcome chemotherapy resistance in cancer cells
2022-01-01 Kovachka, S.; Malloci, G.; Simsir, M.; Ruggerone, P.; Azoulay, S.; Mus-Veteau, I.
Molecular rationale for the impairment of the MexAB-OprM efflux pump by a single mutation in MexA
2022-01-01 Cacciotto, P.; Basciu, A.; Oliva, F.; Malloci, G.; Zacharias, M.; Ruggerone, P.; Vargiu, A. V.
Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps
2022-01-01 Ple, C.; Tam, H. -K.; Vieira Da Cruz, A.; Compagne, N.; Jimenez-Castellanos, J. -C.; Muller, R. T.; Pradel, E.; Foong, W. E.; Malloci, G.; Ballee, A.; Kirchner, M. A.; Moshfegh, P.; Herledan, A.; Herrmann, A.; Deprez, B.; Willand, N.; Vargiu, A. V.; Pos, K. M.; Flipo, M.; Hartkoorn, R. C.
Recognition of quinolone antibiotics by the multidrug efflux transporter MexB of Pseudomonas aeruginosa
2022-01-01 Gervasoni, Silvia; Malloci, Giuliano; Bosin, Andrea; Vargiu, Attilio V; Zgurskaya, Helen I; Ruggerone, Paolo
| Titolo | Data di pubblicazione | Autore(i) | Rivista | Editore |
|---|---|---|---|---|
| Toward the Prediction of Binding Events in Very Flexible, Allosteric, Multidomain Proteins | 1-gen-2025 | Basciu, Andrea; Athar, Mohd; Kurt, Han; Neville, Christine; Malloci, Giuliano; Muredda, Fabrizio C.; Bosin, Andrea; Ruggerone, Paolo; Bonvin, Alexandre M. J. J.; Vargiu, Attilio V. | JOURNAL OF CHEMICAL INFORMATION AND MODELING | - |
| An improved dataset of force fields, electronic and physicochemical descriptors of metabolic substrates | 1-gen-2024 | Macorano, Alessio; Mazzolari, Angelica; Malloci, Giuliano; Pedretti, Alessandro; Vistoli, Giulio; Gervasoni, Silvia | SCIENTIFIC DATA | - |
| Exploring key features of selectivity in somatostatin receptors through molecular dynamics simulations | 1-gen-2024 | Guccione, C.; Gervasoni, S.; Öztürk, I.; Bosin, A.; Ruggerone, P.; Malloci, G. | COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL | - |
| Force Fields, Quantum-Mechanical- and Molecular-Dynamics-Based Descriptors of Radiometal–Chelator Complexes | 1-gen-2024 | Öztürk, Işılay; Gervasoni, Silvia; Guccione, Camilla; Bosin, Andrea; Vargiu, Attilio Vittorio; Ruggerone, Paolo; Malloci, Giuliano | MOLECULES | - |
| Impact of corpus callosum integrity on functional interhemispheric connectivity and cognition in healthy subjects | 1-gen-2024 | Porcu, Michele; Cocco, Luigi; Marrosu, Francesco; Cau, Riccardo; Suri, Jasjit S; Qi, Yang; Pineda, Victor; Bosin, Andrea; Malloci, Giuliano; Ruggerone, Paolo; Puig, Josep; Saba, Luca | BRAIN IMAGING AND BEHAVIOR | - |
| Molecular Evolution of Multivalent OncoFAP Derivatives with Enhanced Tumor Uptake and Prolonged Tumor Retention | 1-gen-2024 | Galbiati, Andrea; Bocci, Matilde; Gervasoni, Silvia; Prodi, Eleonora; Malloci, Giuliano; Neri, Dario; Cazzamalli, Samuele | JOURNAL OF MEDICINAL CHEMISTRY | - |
| Peptide Stereochemistry Effects from pKa-Shift to Gold Nanoparticle Templating in a Supramolecular Hydrogel | 1-gen-2024 | Adorinni, Simone; Gentile, Serena; Bellotto, Ottavia; Kralj, Slavko; Parisi, Evelina; Cringoli, Maria C.; Deganutti, Caterina; Malloci, Giuliano; Piccirilli, Federica; Pengo, Paolo; Vaccari, Lisa; Geremia, Silvano; Vargiu, Attilio V.; De Zorzi, Rita; Marchesan, Silvia | ACS NANO | - |
| Predicting permeation of compounds across the outer membrane of P. aeruginosa using molecular descriptors | 1-gen-2024 | Manrique, Pedro D.; Leus, Inga V.; López, César A.; Mehla, Jitender; Malloci, Giuliano; Gervasoni, Silvia; Vargiu, Attilio V.; Kinthada, Rama K.; Herndon, Liam; Hengartner, Nicolas W.; Walker, John K.; Rybenkov, Valentin V.; Ruggerone, Paolo; Zgurskaya, Helen I.; Gnanakaran, S. | COMMUNICATIONS CHEMISTRY | - |
| Effect of protonation on the UV/VUV photostability of cyano-substituted anthracene and phenanthrene | 1-gen-2023 | Jacovella, U; Giuliani, A; Hansen, Cs; Trevitt, Aj; Nahon, L; Malloci, G; Mulas, G | ASTRONOMY & ASTROPHYSICS | - |
| Interaction of Radiopharmaceuticals with Somatostatin Receptor 2 Revealed by Molecular Dynamics Simulations | 1-gen-2023 | Gervasoni, Silvia; Öztürk, Işılay; Guccione, Camilla; Bosin, Andrea; Ruggerone, Paolo; Malloci, Giuliano | JOURNAL OF CHEMICAL INFORMATION AND MODELING | - |
| Molecular determinants of avoidance and inhibition of Pseudomonas aeruginosa MexB efflux pump | 1-gen-2023 | Gervasoni, Silvia; Mehla, Jitender; Bergen, Charles R; Leus, Inga V; Margiotta, Enrico; Malloci, Giuliano; Bosin, Andrea; Vargiu, Attilio V; Lomovskaya, Olga; Rybenkov, Valentin V; Ruggerone, Paolo; Zgurskaya, Helen I | MBIO | - |
| Molecular simulations of SSTR2 dynamics and interaction with ligands | 1-gen-2023 | Gervasoni, Silvia; Guccione, Camilla; Fanti, Viviana; Bosin, Andrea; Cappellini, Giancarlo; Golosio, Bruno; Ruggerone, Paolo; Malloci, Giuliano | SCIENTIFIC REPORTS | - |
| Tripartite efflux pumps of the RND superfamily: what did we learn from computational studies? | 1-gen-2023 | Athar, Mohd; Gervasoni, Silvia; Catte, Andrea; Basciu, Andrea; Malloci, Giuliano; Ruggerone, Paolo; Vargiu, Attilio Vittorio | MICROBIOLOGY | - |
| A framework for dissecting affinities of multidrug efflux transporter AcrB to fluoroquinolones | 1-gen-2022 | Vergalli, J.; Chauvet, H.; Oliva, F.; Pajovic, J.; Malloci, G.; Vargiu, A. V.; Refregiers, M.; Ruggerone, P.; Pages, J. -M. | COMMUNICATIONS BIOLOGY | - |
| AB-DB: Force-Field parameters, MD trajectories, QM-based data, and Descriptors of Antimicrobials | 1-gen-2022 | Gervasoni, S.; Malloci, G.; Bosin, A.; Vargiu, A. V.; Zgurskaya, H. I.; Ruggerone, P. | SCIENTIFIC DATA | - |
| Common recognition topology of mex transporters of Pseudomonas aeruginosa revealed by molecular modelling | 1-gen-2022 | Catte, Andrea; K. Ramaswamy, Venkata; Vargiu, Attilio Vittorio; Malloci, Giuliano; Bosin, Andrea; Ruggerone, Paolo | FRONTIERS IN PHARMACOLOGY | - |
| Inhibition of the drug efflux activity of Ptch1 as a promising strategy to overcome chemotherapy resistance in cancer cells | 1-gen-2022 | Kovachka, S.; Malloci, G.; Simsir, M.; Ruggerone, P.; Azoulay, S.; Mus-Veteau, I. | EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY | - |
| Molecular rationale for the impairment of the MexAB-OprM efflux pump by a single mutation in MexA | 1-gen-2022 | Cacciotto, P.; Basciu, A.; Oliva, F.; Malloci, G.; Zacharias, M.; Ruggerone, P.; Vargiu, A. V. | COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL | - |
| Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps | 1-gen-2022 | Ple, C.; Tam, H. -K.; Vieira Da Cruz, A.; Compagne, N.; Jimenez-Castellanos, J. -C.; Muller, R. T.; Pradel, E.; Foong, W. E.; Malloci, G.; Ballee, A.; Kirchner, M. A.; Moshfegh, P.; Herledan, A.; Herrmann, A.; Deprez, B.; Willand, N.; Vargiu, A. V.; Pos, K. M.; Flipo, M.; Hartkoorn, R. C. | NATURE COMMUNICATIONS | - |
| Recognition of quinolone antibiotics by the multidrug efflux transporter MexB of Pseudomonas aeruginosa | 1-gen-2022 | Gervasoni, Silvia; Malloci, Giuliano; Bosin, Andrea; Vargiu, Attilio V; Zgurskaya, Helen I; Ruggerone, Paolo | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - |