SIRONI, MAURIZIO
SIRONI, MAURIZIO
Dipartimento di Chimica
Ligand Binding Free Energy Landscapes at the Tubulin Colchicine Site from Coarse-Grained Metadynamics
2026 A. Grazzi, C.M. Brown, M. Sironi, S.J. Marrink, S. Pieraccini
Efficient Protein–Ligand Binding Free Energy Estimation with Coarse-Grained Funnel Metadynamics
2026 A. Grazzi, C.M. Brown, M. Sironi, S.J. Marrink, S. Pieraccini
"Can Coarse-Grained Simulations Reach Chemical Accuracy? Revisiting the Sampling–Accuracy Trade-off"
2026 A. Grazzi, C.M. Brown, M. Sironi, S.J. Marrink, S. Pieraccini
The nature of halogen bonding: insights from interacting quantum atoms and source function studies
2025 A. Pisati, A. Forni, S. Pieraccini, M. Sironi
BIOMIMETIC PEPTIDES AND THEIR USE IN BONE REGENERATION
2025 M. Biagiotti, G. Freddi, A. Alessandrino, M. Sironi, S. Pieraccini, F. Dapiaggi
Synthesis and Multitarget Inhibitory Effect of Indole-Based Ethyl Cinnamate Derivatives against SARS-CoV-2 Mpro and Cathepsins for Broad-Spectrum Anti-Coronavirus Activity
2025 A. Citarella, G. Sibile, D. Moi, A. Dimasi, T. Braga, L. Dal Col, L. Ruberto, S. Pieraccini, M. Sironi, N. Micale, T. Schirmeister, V. Fasano, A. Silvani, C. Giannini, G. Gribaudo, D. Passarella
Efficient Binding Free Energy Estimation with Coarse-Grained Funnel Metadynamics
2025 A. Grazzi, C.M. Brown, M. Sironi, S.J. Marrink, S. Pieraccini
Development of a Coarse-grained Simulation Approach to Elucidate Multisite Tubulin-ligand Binding
2025 A. Grazzi, C.M. Brown, S.J. Marrink, M. Sironi, S. Pieraccini
Synthesis and multitarget inhibitory effect of indole-based ethyl cinnamate derivatives against SARS-CoV-2 Mpro and cathepsins for broad-spectrum anti-coronavirus activity
2025 A. Citarella, G. Sibille, D. Moi, A. Dimasi, T. Braga, L.D. Col, L. Ruberto, S. Pieraccini, M. Sironi, N. Micale, T. Schirmeister, V. Fasano, A. Silvani, C. Giannini, G. Gribaudo, D. Passarella
Synthesis of α-fluorocinnamate derivatives as novel cathepsin S inhibitors with in vitro antiproliferative activity against pancreatic cancer cells
2024 A. Citarella, S. Petrella, D. Moi, A. Dimasi, T. Braga, L. Ruberto, S. Pieraccini, M. Sironi, N. Micale, T. Schirmeister, G. Damia, V. Fasano, A. Silvani, C. Giannini, D. Passarella
Development of a Coarse-Grained Molecular Dynamics (CG-MD) approach to explore tubulin-ligand binding
2024 A. Grazzi, M. Sironi, S. Pieraccini
Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics
2023 Z. Boiarska, H. Pérez-Peña, A. Abel, P. Marzullo, B. Álvarez-Bernad, F. Bonato, B. Santini, D. Horvath, D. Lucena-Agell, F. Vasile, M. Sironi, J.F. Díaz, A.E. Prota, S. Pieraccini, D. Passarella
Resonance Raman and Visible Micro-Spectroscopy for the In-Vivo and In-Vitro Characterization of Anthocyanin-Based Pigments in Blue and Violet Flowers: A Comparison with HPLC-ESI- MS Analysis of the Extracts
2023 S. Bruni, M. Longoni, C. Minzoni, M. Basili, I. Zocca, S. Pieraccini, M. Sironi
Purine 5’-ribonucleotide-glutamate hybrids as potential tools to investigate the mechanism of umami taste reception
2022 M. Rabuffetti, A. Brockhoff, C. Morelli, S. Sangiorgio, L. Scarabattoli, V. Pappalardo, S. Pieraccini, M. Sironi, G. Speranza
Molecular Similarity Perception Based on Machine-Learning Models
2022 E. Gandini, G. Marcou, F. Bonachera, A. Varnek, S. Pieraccini, M. Sironi
Purine 5’‐Ribonucleotide‐L‐Glutamate Hybrids As Potential Tools To Investigate The Mechanism Of Umami Taste Reception
2022 C.F. Morelli, V. Pappalardo, A. Brockhoff, S. Pieraccini, M. Sironi, S. Sangiorgio, L. Scarabattoli, G. Speranza, M. Rabuffetti
Exploring orthogonality between halogen and hydrogen bonding involving benzene
2021 A. Forni, R. Russo, G. Rapeti, S. Pieraccini, M. Sironi
Interpreting the different emissive properties of cyclic triimidazole-based CuI and AgI coordination polymers: a QTAIM and IQA study
2021 A. Forni, E. Cariati, L. Carlucci, E. Lucenti, D. Marinotto, S. Pieraccini, M. Sironi
Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders
2021 P. Marzullo, Z. Boiarska, H. Perez-Pena, A.-. Abel, B. Alvarez-Bernad, D. Lucena-Agell, F. Vasile, M. Sironi, K.-. Altmann, A.E. Prota, J.F. Diaz, S. Pieraccini, D. Passarella
Modelling of short synthetic antifreeze peptides: Insights into ice-pinning mechanism
2020 E. Gandini, M. Sironi, S. Pieraccini