RUGGERONE, PAOLO
RUGGERONE, PAOLO
DIPARTIMENTO DI FISICA
Common characteristics of variants linked to autism spectrum disorder in the WAVE regulatory complex
2025-01-01 Xie, Song; Zuo, Ke; De Rubeis, Silvia; Bonollo, Giorgio; Colombo, Giorgio; Ruggerone, Paolo; Carloni, Paolo
Computational approaches for modelling multidrug efflux pumps of the resistance nodulation-cell division superfamily
2025-01-01 Athar, M.; Gervasoni, S.; Malloci, G.; Ruggerone, P.; Vargiu, A. V.
Impact of Genetic Variants Associated with Neurodevelopmental Disorders on the WAVE Regulatory Complex
2025-01-01 Xie, S.; Zuo, K.; De Rubeis, S.; Bonollo, G.; Colombo, G.; Ruggerone, P.; Carloni, P.
Indole phytochemical camalexin as a promising scaffold for AcrB efflux pump inhibitors against Escherichia coli
2025-01-01 Irianti, Marina Ika; Malloci, Giuliano; Ruggerone, Paolo; Lodinsky, Eszter Valéria; Vincken, Jean-Paul; Pos, Klaas Martinus; Araya-Cloutier, Carla
Molecular basis of the CYFIP2 and NCKAP1 autism-linked variants in the WAVE regulatory complex
2025-01-01 Xie, Song; Zuo, Ke; De Rubeis, Silvia; Ruggerone, Paolo; Carloni, Paolo
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.
Advances in methods and concepts provide new insight into antibiotic fluxes across the bacterial membrane
2024-01-01 Vergalli, J.; Refregiers, M.; Ruggerone, P.; Winterhalter, M.; Pages, J. -M.
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
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.
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
Modelling eNvironment for Isoforms (MoNvIso): A general platform to predict structural determinants of protein isoforms in genetic diseases
2023-01-01 Oliva, F.; Musiani, F.; Giorgetti, A.; De Rubeis, S.; Sorokina, O.; Armstrong, D. J.; Carloni, P.; Ruggerone, P.
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.
| Titolo | Data di pubblicazione | Autore(i) | Rivista | Editore |
|---|---|---|---|---|
| Common characteristics of variants linked to autism spectrum disorder in the WAVE regulatory complex | 1-gen-2025 | Xie, Song; Zuo, Ke; De Rubeis, Silvia; Bonollo, Giorgio; Colombo, Giorgio; Ruggerone, Paolo; Carloni, Paolo | FRONTIERS IN COMPUTATIONAL NEUROSCIENCE | - |
| Computational approaches for modelling multidrug efflux pumps of the resistance nodulation-cell division superfamily | 1-gen-2025 | Athar, M.; Gervasoni, S.; Malloci, G.; Ruggerone, P.; Vargiu, A. V. | - | Academic Press Inc. |
| Impact of Genetic Variants Associated with Neurodevelopmental Disorders on the WAVE Regulatory Complex | 1-gen-2025 | Xie, S.; Zuo, K.; De Rubeis, S.; Bonollo, G.; Colombo, G.; Ruggerone, P.; Carloni, P. | JOURNAL OF CHEMICAL INFORMATION AND MODELING | - |
| Indole phytochemical camalexin as a promising scaffold for AcrB efflux pump inhibitors against Escherichia coli | 1-gen-2025 | Irianti, Marina Ika; Malloci, Giuliano; Ruggerone, Paolo; Lodinsky, Eszter Valéria; Vincken, Jean-Paul; Pos, Klaas Martinus; Araya-Cloutier, Carla | BIOMÉDECINE & PHARMACOTHÉRAPIE | - |
| Molecular basis of the CYFIP2 and NCKAP1 autism-linked variants in the WAVE regulatory complex | 1-gen-2025 | Xie, Song; Zuo, Ke; De Rubeis, Silvia; Ruggerone, Paolo; Carloni, Paolo | PROTEIN SCIENCE | - |
| 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 | - |
| Advances in methods and concepts provide new insight into antibiotic fluxes across the bacterial membrane | 1-gen-2024 | Vergalli, J.; Refregiers, M.; Ruggerone, P.; Winterhalter, M.; Pages, J. -M. | COMMUNICATIONS BIOLOGY | - |
| 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 | - |