GRAZZI, ANDREA
GRAZZI, ANDREA
Dipartimento di Chimica
A Multiscale Funnel Metadynamics Framework for Protein–Ligand Binding Free Energy Landscapes
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
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
Modulation of early aggregation events by flexible peptidomimetics inhibits gelsolin amyloid formation
2026 M. Bollati, K. Peqini, C. Natale, F. Malinverno, C. Leonardi, B. Bonaldi, L. Girois, K. Pagano, L. Ragona, A. Corbelli, F. Fiordaliso, A. Grazzi, X. Gao, S. Pieraccini, S. Pellegrino, L. Diomede, M. De Rosa
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
A millisecond coarse-grained simulation approach to decipher allosteric cannabinoid binding at the glycine receptor α1
2024 A. Bartocci, A. Grazzi, N. Awad, P. Corringer, P.C.T. Souza, M. Cecchini
Development of a Coarse-Grained Molecular Dynamics (CG-MD) approach to explore tubulin-ligand binding
2024 A. Grazzi, M. Sironi, S. Pieraccini