calcoloscientifico:risulati
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| calcoloscientifico:risulati [16/02/2024 10:22] – fausto.pagani | calcoloscientifico:risulati [25/03/2025 10:22] (versione attuale) – fausto.pagani | ||
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| The papers listed here describe results made possible in part by the support of the High Performance Computing facility of the University of Parma (HPC.unipr.it) ]]: | The papers listed here describe results made possible in part by the support of the High Performance Computing facility of the University of Parma (HPC.unipr.it) ]]: | ||
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| + | === 2025=== | ||
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| + | * Skonieczny, K.†; Di Maiolo, F.†; Venturi, S.†; Iagatti, A.; Ricci, A.; Bertocchi, F.; Gryko, D. T.*; Lapini, A.* How nitro group position determines the emission properties of diketopyrrolopyrroles, | ||
| === 2024=== | === 2024=== | ||
| + | * Matteo Dubbini, Federico Bonvini, Lorenzo Savi, and Francesco Di Maiolo; Turning on Organic Radical Emitters; The Journal of Physical Chemistry C; DOI: 10.1021/ | ||
| + | * Andrea Landi, D. K. Andrea Phan Huu, and Anna Painelli; From the Fermi Golden Rule to Open Quantum Systems: Basic Concepts on Non-radiative Rates The Journal of Physical Chemistry C; DOI: 10.1021/ | ||
| + | * Bedogni, M.; Di Maiolo, F. " | ||
| + | * Di Maiolo, F.; Phan Huu, D. K. A.; Giavazzi, D.; Landi, A.; Racchi, O.; Painelli A. " | ||
| + | * Perugino F, Pedroni L, Galaverna G, Dall' | ||
| + | * Pedroni L, Perugino F, Magnaghi F, Dall’Asta C, Galaverna G, Dellafiora L. Free fatty acid receptors beyond fatty acids: A computational journey to explore peptides as possible binders of GPR120. Current Research in Food Science. Volume 8, 2024. doi: | ||
| * Battiston, P., Gamba, S., Santoro, A. (2024). Machine learning and the optimization of prediction-based policies. Technological Forecasting and Social Change, 199, 123080 | * Battiston, P., Gamba, S., Santoro, A. (2024). Machine learning and the optimization of prediction-based policies. Technological Forecasting and Social Change, 199, 123080 | ||
| * Bedini A, Elisi GM, Fanini F, Retini M, Scalvini L, Pasquini S, Contri C, Varani K, Spadoni G, Mor M, Vincenzi F, Rivara S. Binding and unbinding of potent melatonin receptor ligands: mechanistic simulations and experimental evidence. J. Pineal Res. 2024 76:e12941 | * Bedini A, Elisi GM, Fanini F, Retini M, Scalvini L, Pasquini S, Contri C, Varani K, Spadoni G, Mor M, Vincenzi F, Rivara S. Binding and unbinding of potent melatonin receptor ligands: mechanistic simulations and experimental evidence. J. Pineal Res. 2024 76:e12941 | ||
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| === 2022 === | === 2022 === | ||
| + | * Elisi GM, Scalvini L, Lodola A, Mor M, Rivara S. Free-energy simulations support a lipophilic binding route for melatonin receptors. J. Chem. Inf. Model. 2022 62, 210-222. | ||
| * Galvani F, Scalvini L, Rivara S, Lodola A, Mor M. Mechanistic modeling of monoglyceride lipase covalent modification elucidates the role of leaving group expulsion and discriminates inhibitors with high and low potency. J. Chem. Inf. Model. 2022 62, 2771-2787. | * Galvani F, Scalvini L, Rivara S, Lodola A, Mor M. Mechanistic modeling of monoglyceride lipase covalent modification elucidates the role of leaving group expulsion and discriminates inhibitors with high and low potency. J. Chem. Inf. Model. 2022 62, 2771-2787. | ||
| * Mari M, Elisi GM, Bedini A, Lucarini S, Retini M, Lucini V, Scaglione F, Vincenzi F, Varani K, Castelli R, Mor M, Rivara S, Spadoni G. 2-Arylmelatonin analogues: probing the 2-phenyl binding pocket of melatonin MT1 and MT2 receptors. Eur. J. Med. Chem. 2022 243:114762. | * Mari M, Elisi GM, Bedini A, Lucarini S, Retini M, Lucini V, Scaglione F, Vincenzi F, Varani K, Castelli R, Mor M, Rivara S, Spadoni G. 2-Arylmelatonin analogues: probing the 2-phenyl binding pocket of melatonin MT1 and MT2 receptors. Eur. J. Med. Chem. 2022 243:114762. | ||
calcoloscientifico/risulati.1708075379.txt.gz · Ultima modifica: 16/02/2024 10:22 da fausto.pagani