Sfoglia per Autore
Evidence for proton shuffling in a thioredoxin-like protein during catalysis
2008-01-01 Narzi, D; Siu, Swi; Stirnimann, Cu; Grimshaw, Jpa; Glockshuber, R; Capitani, G; Bockmann, Ra
Molecular determinants of major histocompatibility complex class I complex stability - Shaping antigenic features through short and long range electrostatic interactions
2008-01-01 Narzi, D; Winkler, K; Saidowsky, J; Misselwitz, R; Ziegler, A; Bockmann, Ra; Alexiev, U
Protein Folding Pathways Revealed by Essential Dynamics Sampling
2008-01-01 Narzi, D; Daidone, Isabella; Amadei, A; Di Nola, A.
HLA-B27 subtypes differentially associated with disease exhibit conformational differences in solution
2008-01-01 Fabian, H; Huser, H; Narzi, D; Misselwitz, R; Loll, B; Ziegler, A; Bockmann, Ra; Uchanska-Ziegler, B; Naumann, D
Membrane-Proximal Tryptophans of Synaptobrevin II Stabilize Priming of Secretory Vesicles
2012-01-01 Borisovska, M; Schwarz, Yn; Dhara, M; Yarzagaray, A; Hugo, S; Narzi, D; Siu, Swi; Kesavan, J; Mohrmann, R; Bockmann, Ra; Bruns, D
Dynamical Characterization of Two Differentially Disease Associated MHC Class I Proteins in Complex with Viral and Self-Peptides
2012-01-01 Narzi, D; Becker, Cm; Fiorillo, Mt; Uchanska-Ziegler, B; Ziegler, A; Bockmann, Ra
Interaction Pattern of Arg 62 in the A-Pocket of Differentially Disease-Associated HLA-B27 Subtypes Suggests Distinct TCR Binding Modes
2012-01-01 Nurzia, E; Narzi, D; Cauli, A; Mathieu, A; Tedeschi, V; Caristi, S; Sorrentino, R; Bockmann, Ra; Fiorillo, Mt
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
2013-01-01 Bovi, Daniele; Narzi, Daniele; Guidoni, Leonardo
Pathway for Mn-cluster oxidation by tyrosine-Z in the S-2 state of photosystem II
2014-01-01 Narzi, Daniele; Bovi, Daniele; Guidoni, Leonardo
Magnetic interactions in the catalyst used by nature to split water: a DFT plus U multiscale study on the Mn4CaO5 core in photosystem II
2014-01-01 Bovi, Daniele; Narzi, Daniele; Guidoni, Leonardo
The dynamics of the special pair of chlorophylls of Photosystem II
2015-01-01 Narzi, Daniele; Bovi, Daniele; De Gaetano, Pietro; Guidoni, Leonardo
Characterization of the Sr2+- and Cd2+-Substituted Oxygen-Evolving Complex of Photosystem II by Quantum Mechanics/Molecular Mechanics Calculations
2015-01-01 Pitari, Fabio; Bovi, Daniele; Narzi, Daniele; Guidoni, Leonardo
Reorganization of Substrate Waters between the Closed and Open Cubane Conformers during the S2 to S3 Transition in the Oxygen Evolving Complex
2015-01-01 Capone, M.; Bovi, Daniele; Narzi, Daniele; Guidoni, Leonardo
Mechanism of Water Delivery to the Active Site of Photosystem II along the S(2) to S(3) Transition
2016-01-01 Capone, Matteo; Narzi, Daniele; Bovi, Daniele; Guidoni, Leonardo
Mechanism of Water Delivery to the Active Site of Photosystem II along the S2 to S3 Transition
2016-01-01 Capone, Matteo; Narzi, Daniele; Bovi, Daniele; Guidoni, Leonardo
Vibrational fingerprints of the Mn4CaO5 cluster in Photosystem II by mixed quantum-classical molecular dynamics
2016-01-01 Bovi, Daniele; Capone, Matteo; Narzi, Daniele; Guidoni, Leonardo
Impact of molecular flexibility on the site energy shift of chlorophylls in Photosystem II
2017-01-01 Narzi, Daniele; Coccia, Emanuele; Manzoli, Marco; Guidoni, Leonardo
Molecular dynamics simulation unveils the conformational flexibility of the interdomain linker in the bacterial transcriptional regulator GabR from Bacillus subtilis bound to pyridoxal 5'-phosphate
2017-01-01 Milano, Teresa; Gulzar, Adnan; Narzi, Daniele; Guidoni, Leonardo; Pascarella, Stefano
A Spotlight on the Compatibility between XFEL and Ab Initio Structures of the Oxygen Evolving Complex in Photosystem II
2017-01-01 Narzi, Daniele; Mattioli, Giuseppe; Bovi, Daniele; Guidoni, Leonardo
Evolution from S3 to S4 States of the Oxygen-Evolving Complex in Photosystem II Monitored by Quantum Mechanics/Molecular Mechanics (QM/MM) Dynamics
2018-01-01 Narzi, Daniele; Capone, Matteo; Bovi, Daniele; Guidoni, Leonardo
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