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MALLOCI, GIULIANO

MALLOCI, GIULIANO  

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Risultati 1 - 20 di 133 (tempo di esecuzione: 0.033 secondi).
Titolo Data di pubblicazione Autore(i) Rivista Editore
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 -
Z-Selective Synthesis of α-Sulfanyl Carbonyl Compounds from Internal Alkynes and Thiols via Photoredox Catalysis 1-gen-2022 Luridiana, A.; Frongia, A.; Scorciapino, M. A.; Malloci, G.; Manconi, B.; Serrao, S.; Ricci, P. C.; Secci, F. ADVANCED SYNTHESIS & CATALYSIS -