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Journal of Chemical Theory and Computation|January 10, 2026
Efficient Protein-Ligand Binding Free Energy Estimation with Coarse-Grained Funnel MetadynamicsAndrea Grazzi, Chelsea M Brown, Maurizio Sironi, et al.
Nature Communications|October 19, 2024
A millisecond coarse-grained simulation approach to decipher allosteric cannabinoid binding at the glycine receptor α1Alessio Bartocci, Andrea Grazzi, Nour Awad, et al.
International Journal of Biological Macromolecules|July 9, 2026
Modulation of early aggregation events by flexible peptidomimetics inhibits gelsolin amyloid formationMichela Bollati, Kaliroi Peqini, Carmina Natale, et al.
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