The S2 State of the Oxygen-Evolving Complex of Photosystem II Explored by QM/MM Dynamics: Spin Surfaces and Metastable States Suggest a Reaction Path Towards the S3 State von Bovi, Daniele, Narzi, Daniele, Guidoni, Leonardo

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Pathway for Mn-cluster oxidation by tyrosine-Z in the S₂ state of photosystem II von Narzi, Daniele, Bovi, Daniele, Guidoni, Leonardo

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Mechanism of Oxygen Evolution and Mn4CaO5 Cluster Restoration in the Natural Water-Oxidizing Catalyst von Capone, Matteo, Narzi, Daniele, Guidoni, Leonardo

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Mechanism of Water Delivery to the Active Site of Photosystem II along the S2 to S3 Transition von Capone, Matteo, Narzi, Daniele, Bovi, Daniele, Guidoni, Leonardo

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Evolution from S3 to S4 States of the Oxygen‐Evolving Complex in Photosystem II Monitored by Quantum Mechanics/Molecular Mechanics (QM/MM) Dynamics von Narzi, Daniele, Capone, Matteo, Bovi, Daniele, Guidoni, Leonardo

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A Spotlight on the Compatibility between XFEL and Ab Initio Structures of the Oxygen Evolving Complex in Photosystem II von Narzi, Daniele, Mattioli, Giuseppe, Bovi, Daniele, Guidoni, Leonardo

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Reorganization of Substrate Waters between the Closed and Open Cubane Conformers during the S2 to S3 Transition in the Oxygen Evolving Complex von Capone, Matteo, Bovi, Daniele, Narzi, Daniele, Guidoni, Leonardo

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Pivotal role of the redox-active tyrosine in driving the water splitting catalyzed by photosystem II von Nakamura, Shin, Capone, Matteo, Narzi, Daniele, Guidoni, Leonardo

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Characterization of the Sr2+- and Cd2+-Substituted Oxygen-Evolving Complex of Photosystem II by Quantum Mechanics/Molecular Mechanics Calculations von Pitari, Fabio, Bovi, Daniele, Narzi, Daniele, Guidoni, Leonardo

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On the comparison between differential vibrational spectroscopy spectra and theoretical data in the carboxyl region of photosystem II von Capone, Matteo, Narzi, Daniele, Tychengulova, Aliya, Guidoni, Leonardo

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Gαi1 inhibition mechanism of ATP-bound adenylyl cyclase type 5 von Narzi, Daniele, van Keulen, Siri C, Röthlisberger, Ursula

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Dynamics of the Special Pair of Chlorophylls of Photosystem II von Narzi, Daniele, Bovi, Daniele, De Gaetano, Pietro, Guidoni, Leonardo

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Molecular dynamics simulation unveils the conformational flexibility of the interdomain linker in the bacterial transcriptional regulator GabR from Bacillus subtilis bound to pyrid... von Milano, Teresa, Gulzar, Adnan, Narzi, Daniele, Guidoni, Leonardo, Pascarella, Stefano

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Investigation of the Entry Pathway and Molecular Nature of σ1 Receptor Ligands von Pascarella, Gianmarco, Antonelli, Lorenzo, Narzi, Daniele, Battista, Theo, Fiorillo, Annarita, Colotti, Gianni, Guidoni, Leonardo, Morea, Veronica, Ilari, Andrea

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Magnetic interactions in the catalyst used by nature to split water: a DFT + U multiscale study on the Mn4CaO5 core in photosystem II von Bovi, Daniele, Narzi, Daniele, Guidoni, Leonardo

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Regulation of adenylyl cyclase 5 in striatal neurons confers the ability to detect coincident neuromodulatory signals von Bruce, Neil J, Narzi, Daniele, Trpevski, Daniel, van Keulen, Siri C, Nair, Anu G, Röthlisberger, Ursula, Wade, Rebecca C, Carloni, Paolo, Hellgren Kotaleski, Jeanette

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Structural and dynamic insights into Mn4Ca cluster-depleted Photosystem II von Narzi, Daniele, Guidoni, Leonardo

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Structural and dynamic insights into Mn 4 Ca cluster-depleted Photosystem II von Narzi, Daniele, Guidoni, Leonardo

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Structural and dynamic insights into MnCa cluster-depleted Photosystem II von Narzi, Daniele, Guidoni, Leonardo

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The S 2 State of the Oxygen‐Evolving Complex of Photosystem II Explored by QM/MM Dynamics: Spin Surfaces and Metastable States Suggest a Reaction Path Towards the S 3 State von Bovi, Daniele, Narzi, Daniele, Guidoni, Leonardo

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