PIERACCINI, STEFANO
PIERACCINI, STEFANO
Dipartimento di Chimica
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
Peptidomimetics Inspired by α-Synuclein or Its Chaperone αB-Crystallin Differentially Modulate α-Synuclein Aggregation
2026 N. Bisi, J. Kothuis, J. Kaffy, H. Pérez Peña, C. Schulz, C.M.G. De Luca, A. Ciullini, I.L. Dellarole, L. Radal, F. Moda, G. Cappelletti, D. Horvath, S. Pieraccini, W. Hoyer, F. Halgand, N. Tonali, S. Ongeri
A molecular perspective of gelsolin amyloidosis: An old foe with new faces
2026 M. Bollati, C. Natale, L. Girois, A. Conz, K. Peqini, S. Pieraccini, S. Pellegrino, L. Diomede, M. De Rosa
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
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
Efficient Binding Free Energy Estimation with Coarse-Grained Funnel Metadynamics
2025 A. Grazzi, C.M. Brown, M. Sironi, S.J. Marrink, S. Pieraccini
Gold Nanoparticles Decorated with HPLC6-Derived Peptides as a Platform for Ice Recrystallization Inhibition
2025 E. Impresari, K. Peqini, T.P. Hogervorst, A. Faustini, F. Bodega, C. Porta, M.M. Pecchiari, G. Zanchetta, I.K. Voets, S. Pieraccini, S. Pellegrino
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
The nature of halogen bonding: insights from interacting quantum atoms and source function studies
2025 A. Pisati, A. Forni, S. Pieraccini, M. Sironi
Design, synthesis and in vitro validation of bivalent binders of SARS-CoV-2 spike protein: Obeticholic, betulinic and glycyrrhetinic acids as building blocks
2025 M. Pedrini, L. Pozzi, F. Sacchi, A. Citarella, V. Fasano, P. Seneci, S. Pieraccini, L. Ruberto, H. Perez Peña, A. Garzino-Demo, A. Vitiello, L. Sernicola, A. Borsetti, A. Calistri, C. Parolin, D. Passarella
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
Development of a Coarse-Grained Molecular Dynamics (CG-MD) approach to explore tubulin-ligand binding
2024 A. Grazzi, M. Sironi, S. Pieraccini
Development of docking protocol for small molecules on tubulin
2024 L. Ruberto, M. Sironi, S. Pieraccini
Impairing protein-protein interactions in an essential tRNA modification complex: An innovative antimicrobial strategy against Pseudomonas aeruginosa
2024 M. Bollati, E. Fasola, S. Pieraccini, F. Freddi, P. Cocomazzi, F. Oliva, M. Klußmann, A. Maspero, U. Piarulli, S. Ferrara, S. Pellegrino, G. Bertoni, S. Gazzola
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
Total Synthesis of an Epothilone Analogue based on the Amide‒Triazole Bioisosterism
2024 E. Colombo, D.A. Coppini, S. Borsoi, V. Fasano, R. Bucci, F. Bonato, E. Bonandi, F. Vasile, S. Pieraccini, D. Passarella
Exploitation of Dimeric Cyclic Cysteine as Helix Inducer in Ultra‐Short Peptides for Cu(II)‐Catalyzed Asymmetric Michael Addition on Chalcones
2023 G. Facchetti, J. Gracia Vitoria, M. Moraschi, R. Bucci, A. Abel, S. Pieraccini, S. Pellegrino, I. Rimoldi
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
Synthesis of SARS-CoV-2 Mpro Inhibitors bearing a Cinnamic Ester Warhead with In Vitro Activity against Human Coronaviruses
2023 A. Citarella, D. Moi, M. Pedrini, H. Pérez-Peña, S. Pieraccini, A. Dimasi, C. Stagno, N. Micale, T. Schirmeister, G. Sibille, G. Gribaudo, A. Silvani, C. Giannini, D. Passarella
Computational Approaches to the Rational Design of Tubulin-Targeting Agents
2023 H. Perez-Pena, A. Abel, M. Shevelev, A.E. Prota, S. Pieraccini, D. Horvath