RUGGERONE, PAOLO

RUGGERONE, PAOLO  

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Titolo Data di pubblicazione Autore(i) Rivista Editore
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 -
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 -
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 -
Modelling eNvironment for Isoforms (MoNvIso): A general platform to predict structural determinants of protein isoforms in genetic diseases 1-gen-2023 Oliva, F.; Musiani, F.; Giorgetti, A.; De Rubeis, S.; Sorokina, O.; Armstrong, D. J.; Carloni, P.; Ruggerone, P. FRONTIERS IN CHEMISTRY -
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 -
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 -
Bacterial efflux transporters’ polyspecificity – a gift and a curse? 1-gen-2021 Zgurskaya, Helen I.; Malloci, Giuliano; Chandar, Brinda; Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo CURRENT OPINION IN MICROBIOLOGY -
Mechanistic Duality of Bacterial Efflux Substrates and Inhibitors: Example of Simple Substituted Cinnamoyl and Naphthyl Amides 1-gen-2021 D'Cunha, N.; Moniruzzaman, M.; Haynes, K.; Malloci, G.; Cooper, C. J.; Margiotta, E.; Vargiu, A. V.; Uddin, M. R.; Leus, I. V.; Cao, F.; Parks, J. M.; Rybenkov, V. V.; Ruggerone, P.; Zgurskaya, H. I.; Walker, J. K. ACS INFECTIOUS DISEASES -
Molecular insights into the Patched1 drug efflux inhibitory activity of panicein A hydroquinone: a computational study 1-gen-2021 Kovachka, S.; Malloci, G.; Vargiu, A. V.; Azoulay, S.; Mus-Veteau, I.; Ruggerone, P. PHYSICAL CHEMISTRY CHEMICAL PHYSICS -
Predictive rules of efflux inhibition and avoidance in Pseudomonas aeruginosa 1-gen-2021 Mehla, Jitender; Malloci, Giuliano; Mansbach, Rachael; López, Cesar A.; Tsivkovski, Ruslan; Haynes, Keith; Leus, Inga V.; Grindstaff, Sally B.; Cascella, Robert H.; D’Cunha, Napoleon; Herndon, Liam; Hengartner, Nicolas W.; Margiotta, Enrico; Atzori, Alessio; Vargiu, Attilio V.; Manrique, Pedro D.; Walker, John K.; Lomovskaya, Olga; Ruggerone, Paolo; Gnanakaran, S.; Rybenkov, Valentin V.; Zgurskaya, Helen I. MBIO -
Binding and Transport of Carboxylated Drugs by the Multidrug Transporter AcrB 1-gen-2020 Tam, Hk; Malviya, Vn; Foong, We; Herrmann, A; Malloci, G; Ruggerone, P; Vargiu, Av; Pos, Km JOURNAL OF MOLECULAR BIOLOGY -