GERVASONI, SILVIA
GERVASONI, SILVIA
DIPARTIMENTO DI FISICA
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
Human carnosinases: A brief history, medicinal relevance, and in silico analyses
2024-01-01 Chmielewska, Klaudia; Vittorio, Serena; Gervasoni, Silvia; Dzierzbicka, Krystyna; Inkielewicz-Stepniak, Iwona; Vistoli, Giulio
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
New potent muscarinic receptor ligands bearing the 1,4-dioxane nucleus: Investigation on the nature of the substituent in position 2
2024-01-01 Giorgioni, Gianfabio; Bonifazi, Alessandro; Matucci, Rosanna; Matteucci, Federica; Piergentili, Alessandro; Piergentili, Alessia; Quaglia, Wilma; Gervasoni, Silvia; Vistoli, Giulio; Vittorio, Serena; Del Bello, Fabio
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
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
Structure of human TRPM8 channel
2023-01-01 Palchevskyi, Sergii; Czarnocki-Cieciura, Mariusz; Vistoli, Giulio; Gervasoni, Silvia; Nowak, Elżbieta; Beccari, Andrea R.; Nowotny, Marcin; Talarico, Carmine
Target Prediction by Multiple Virtual Screenings: Analyzing the SARS-CoV-2 Phenotypic Screening by the Docking Simulations Submitted to the MEDIATE Initiative
2023-01-01 Gervasoni, Silvia; Manelfi, Candida; Adobati, Sara; Talarico, Carmine; Biswas, Akash Deep; Pedretti, Alessandro; Vistoli, Giulio; Beccari, Andrea R.
Targeting the multifaceted neurotoxicity of Alzheimer's disease by tailored functionalisation of the curcumin scaffold
2023-01-01 De Lorenzi, Ersilia; Seghetti, Francesca; Tarozzi, Andrea; Pruccoli, Letizia; Contardi, Cecilia; Serra, Massimo; Bisi, Alessandra; Gobbi, Silvia; Vistoli, Giulio; Gervasoni, Silvia; Argentini, Carla; Ghirardo, Giulia; Guarato, Giulia; Orso, Genny; Belluti, Federica; Di Martino, Rita Maria Concetta; Zusso, Morena
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
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.
Computational Insights into the Sequence-Activity Relationships of the NGF(1–14) Peptide by Molecular Dynamics Simulations
2022-01-01 Vittorio, Serena; Manelfi, Candida; Gervasoni, Silvia; Beccari, Andrea R.; Pedretti, Alessandro; Vistoli, Giulio; Talarico, Carmine
Cyclo(His-Pro) Exerts Protective Carbonyl Quenching Effects through Its Open Histidine Containing Dipeptides
2022-01-01 Regazzoni, Luca; Fumagalli, Laura; Artasensi, Angelica; Gervasoni, Silvia; Gilardoni, Ettore; Mazzolari, Angelica; Aldini, Giancarlo; Vistoli, Giulio
Discovery of a Potent and Highly Selective Dipeptidyl Peptidase IV and Carbonic Anhydrase Inhibitor as “Antidiabesity” Agents Based on Repurposing and Morphing of WB-4101
2022-01-01 Artasensi, Angelica; Angeli, Andrea; Lammi, Carmen; Bollati, Carlotta; Gervasoni, Silvia; Baron, Giovanna; Matucci, Rosanna; Supuran, Claudiu T.; Vistoli, Giulio; Fumagalli, Laura
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
Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins
2021-01-01 Yang, Zongfan; Twidale, Rebecca M.; Gervasoni, Silvia; Suardíaz, Reynier; Colenso, Charlotte K.; Lang, Eric J. M.; Spencer, James; Mulholland, Adrian J.
| 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 | - |
| Human carnosinases: A brief history, medicinal relevance, and in silico analyses | 1-gen-2024 | Chmielewska, Klaudia; Vittorio, Serena; Gervasoni, Silvia; Dzierzbicka, Krystyna; Inkielewicz-Stepniak, Iwona; Vistoli, Giulio | DRUG DISCOVERY TODAY | - |
| 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 | - |
| New potent muscarinic receptor ligands bearing the 1,4-dioxane nucleus: Investigation on the nature of the substituent in position 2 | 1-gen-2024 | Giorgioni, Gianfabio; Bonifazi, Alessandro; Matucci, Rosanna; Matteucci, Federica; Piergentili, Alessandro; Piergentili, Alessia; Quaglia, Wilma; Gervasoni, Silvia; Vistoli, Giulio; Vittorio, Serena; Del Bello, Fabio | ARCHIV DER PHARMAZIE | - |
| 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 | - |
| 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 | - |
| Structure of human TRPM8 channel | 1-gen-2023 | Palchevskyi, Sergii; Czarnocki-Cieciura, Mariusz; Vistoli, Giulio; Gervasoni, Silvia; Nowak, Elżbieta; Beccari, Andrea R.; Nowotny, Marcin; Talarico, Carmine | COMMUNICATIONS BIOLOGY | - |
| Target Prediction by Multiple Virtual Screenings: Analyzing the SARS-CoV-2 Phenotypic Screening by the Docking Simulations Submitted to the MEDIATE Initiative | 1-gen-2023 | Gervasoni, Silvia; Manelfi, Candida; Adobati, Sara; Talarico, Carmine; Biswas, Akash Deep; Pedretti, Alessandro; Vistoli, Giulio; Beccari, Andrea R. | INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES | - |
| Targeting the multifaceted neurotoxicity of Alzheimer's disease by tailored functionalisation of the curcumin scaffold | 1-gen-2023 | De Lorenzi, Ersilia; Seghetti, Francesca; Tarozzi, Andrea; Pruccoli, Letizia; Contardi, Cecilia; Serra, Massimo; Bisi, Alessandra; Gobbi, Silvia; Vistoli, Giulio; Gervasoni, Silvia; Argentini, Carla; Ghirardo, Giulia; Guarato, Giulia; Orso, Genny; Belluti, Federica; Di Martino, Rita Maria Concetta; Zusso, Morena | EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY | - |
| 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 | - |
| 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 | - |
| Computational Insights into the Sequence-Activity Relationships of the NGF(1–14) Peptide by Molecular Dynamics Simulations | 1-gen-2022 | Vittorio, Serena; Manelfi, Candida; Gervasoni, Silvia; Beccari, Andrea R.; Pedretti, Alessandro; Vistoli, Giulio; Talarico, Carmine | CELLS | - |
| Cyclo(His-Pro) Exerts Protective Carbonyl Quenching Effects through Its Open Histidine Containing Dipeptides | 1-gen-2022 | Regazzoni, Luca; Fumagalli, Laura; Artasensi, Angelica; Gervasoni, Silvia; Gilardoni, Ettore; Mazzolari, Angelica; Aldini, Giancarlo; Vistoli, Giulio | NUTRIENTS | - |
| Discovery of a Potent and Highly Selective Dipeptidyl Peptidase IV and Carbonic Anhydrase Inhibitor as “Antidiabesity” Agents Based on Repurposing and Morphing of WB-4101 | 1-gen-2022 | Artasensi, Angelica; Angeli, Andrea; Lammi, Carmen; Bollati, Carlotta; Gervasoni, Silvia; Baron, Giovanna; Matucci, Rosanna; Supuran, Claudiu T.; Vistoli, Giulio; Fumagalli, Laura | JOURNAL OF MEDICINAL CHEMISTRY | - |
| 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 | - |
| Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins | 1-gen-2021 | Yang, Zongfan; Twidale, Rebecca M.; Gervasoni, Silvia; Suardíaz, Reynier; Colenso, Charlotte K.; Lang, Eric J. M.; Spencer, James; Mulholland, Adrian J. | JOURNAL OF CHEMICAL INFORMATION AND MODELING | - |