Effect of Protein Conformation and AMP Protonation State on Fireflies’ Bioluminescent Emission by Cristina Garcia-Iriepa, Isabelle Navizet

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Atomistic-Level Description of the Covalent Inhibition of SARS-CoV-2 Papain-like Protease by Cécilia Hognon, Marco Marazzi, Cristina García-Iriepa

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Modeling Chemical Reactions by QM/MM Calculations: The Case of the Tautomerization in Fireflies Bioluminescent Systems by Romain Berraud-Pache, Cristina Garcia-Iriepa, Isabelle Navizet

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Revealing the Molecular Interactions between Human ACE2 and the Receptor Binding Domain of the SARS-CoV-2 Wild-Type, Alpha and Delta Variants by Cécilia Hognon, Emmanuelle Bignon, Antonio Monari, Marco Marazzi, Cristina Garcia-Iriepa

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<i>E</i>/<i>Z</i> Molecular Photoswitches Activated by Two-Photon Absorption: Comparison between Different Families by Marco Marazzi, Cristina García-Iriepa, Carlos Benitez-Martin, Francisco Najera, Antonio Monari, Diego Sampedro

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Controlling Antimicrobial Activity of Quinolones Using Visible/NIR Light-Activated BODIPY Photocages by Elena Contreras-García, Carmen Lozano, Cristina García-Iriepa, Marco Marazzi, Arthur H. Winter, Carmen Torres, Diego Sampedro

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Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review by Aurélien de la Lande, Aurelio Alvarez-Ibarra, Karim Hasnaoui, Fabien Cailliez, Xiaojing Wu, Tzonka Mineva, Jérôme Cuny, Patrizia Calaminici, Luis López-Sosa, Gerald Geudtner, Isabelle Navizet, Cristina Garcia Iriepa, Dennis R. Salahub, Andreas M. Köster

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