Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes von Schiebel, Johannes, Gaspari, Roberto, Wulsdorf, Tobias, Ngo, Khang, Sohn, Christian, Schrader, Tobias E., Cavalli, Andrea, Ostermann, Andreas, Heine, Andreas, Klebe, Gerhard

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Hollow and Porous Nickel Cobalt Perselenide Nanostructured Microparticles for Enhanced Electrocatalytic Oxygen Evolution von Shinde, Dipak V, Trizio, Luca De, Dang, Zhiya, Prato, Mirko, Gaspari, Roberto, Manna, Liberato

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Colloidal CuFeS2 Nanocrystals: Intermediate Fe d‑Band Leads to High Photothermal Conversion Efficiency von Ghosh, Sandeep, Avellini, Tommaso, Petrelli, Alessia, Kriegel, Ilka, Gaspari, Roberto, Almeida, Guilherme, Bertoni, Giovanni, Cavalli, Andrea, Scotognella, Francesco, Pellegrino, Teresa, Manna, Liberato

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Structural Basis of cis- and trans-Combretastatin Binding to Tubulin von Gaspari, Roberto, Prota, Andrea E., Bargsten, Katja, Cavalli, Andrea, Steinmetz, Michel O.

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Cu3-xP Nanocrystals as a Material Platform for Near-Infrared Plasmonics and Cation Exchange Reactions von De Trizio, Luca, Gaspari, Roberto, Bertoni, Giovanni, Kriegel, Ilka, Moretti, Luca, Scotognella, Francesco, Maserati, Lorenzo, Zhang, Yang, Messina, Gabriele C, Prato, Mirko, Marras, Sergio, Cavalli, Andrea, Manna, Liberato

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Thermal Stability and Anisotropic Sublimation of Two-Dimensional Colloidal Bi2Te3 and Bi2Se3 Nanocrystals von Buha, Joka, Gaspari, Roberto, Del Rio Castillo, Antonio Esau, Bonaccorso, Francesco, Manna, Liberato

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Dioxygen, an unexpected carbonic anhydrase ligand von Ferraroni, Marta, Gaspari, Roberto, Scozzafava, Andrea, Cavalli, Andrea, Supuran, Claudiu T.

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Colloidal Monolayer β‑In2Se3 Nanosheets with High Photoresponsivity von Almeida, Guilherme, Dogan, Sedat, Bertoni, Giovanni, Giannini, Cinzia, Gaspari, Roberto, Perissinotto, Stefano, Krahne, Roman, Ghosh, Sandeep, Manna, Liberato

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Kinetics of protein-ligand unbinding via smoothed potential molecular dynamics simulations von Mollica, Luca, Decherchi, Sergio, Zia, Syeda Rehana, Gaspari, Roberto, Cavalli, Andrea, Rocchia, Walter

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Quasi-Static Resonances in the Visible Spectrum from All-Dielectric Intermediate Band Semiconductor Nanocrystals von Gaspari, Roberto, Della Valle, Giuseppe, Ghosh, Sandeep, Kriegel, Ilka, Scotognella, Francesco, Cavalli, Andrea, Manna, Liberato

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Extended diffusion theory: Recovering dynamics from biased/accelerated molecular simulations von Rapallo, Arnaldo, Gaspari, Roberto, Grasso, Gianvito, Danani, Andrea

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Role of the Crystal Structure in Cation Exchange Reactions Involving Colloidal Cu2Se Nanocrystals von Gariano, Graziella, Lesnyak, Vladimir, Brescia, Rosaria, Bertoni, Giovanni, Dang, Zhiya, Gaspari, Roberto, De Trizio, Luca, Manna, Liberato

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Full-Scale DEM Simulation of Coupled Fluid and Dry-Coated Particle Flow in Swirl-Based Dry Powder Inhalers von Alfano, Francesca Orsola, Benassi, Andrea, Gaspari, Roberto, Di Renzo, Alberto, Di Maio, Francesco Paolo

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Influence of the Ion Coordination Number on Cation Exchange Reactions with Copper Telluride Nanocrystals von Tu, Renyong, Xie, Yi, Bertoni, Giovanni, Lak, Aidin, Gaspari, Roberto, Rapallo, Arnaldo, Cavalli, Andrea, Trizio, Luca De, Manna, Liberato

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Cu3‑x P Nanocrystals as a Material Platform for Near-Infrared Plasmonics and Cation Exchange Reactions von De Trizio, Luca, Gaspari, Roberto, Bertoni, Giovanni, Kriegel, Ilka, Moretti, Luca, Scotognella, Francesco, Maserati, Lorenzo, Zhang, Yang, Messina, Gabriele C, Prato, Mirko, Marras, Sergio, Cavalli, Andrea, Manna, Liberato

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Cooperative motion of a key positively charged residue and metal ions for DNA replication catalyzed by human DNA Polymerase-η von Genna, Vito, Gaspari, Roberto, Dal Peraro, Matteo, De Vivo, Marco

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Probing Hydration Patterns in Class‑A GPCRs via Biased MD: The A2A Receptor von Zia, Syeda Rehana, Gaspari, Roberto, Decherchi, Sergio, Rocchia, Walter

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Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies von Gaspari, Roberto, Rechlin, Chris, Heine, Andreas, Bottegoni, Giovanni, Rocchia, Walter, Schwarz, Daniel, Bomke, Jörg, Gerber, Hans-Dieter, Klebe, Gerhard, Cavalli, Andrea

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Ab Initio Structure Determination of Cu2- xTe Plasmonic Nanocrystals by Precession-Assisted Electron Diffraction Tomography and HAADF-STEM Imaging von Mugnaioli, Enrico, Gemmi, Mauro, Tu, Renyong, David, Jeremy, Bertoni, Giovanni, Gaspari, Roberto, De Trizio, Luca, Manna, Liberato

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HRD Motif as the Central Hub of the Signaling Network for Activation Loop Autophosphorylation in Abl Kinase von La Sala, Giuseppina, Riccardi, Laura, Gaspari, Roberto, Cavalli, Andrea, Hantschel, Oliver, De Vivo, Marco

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