Hybrid Quantum/Classical Simulations of the Vibrational Relaxation of the Amide I Mode of N-Methylacetamide in D2O Solution by Bastida, Adolfo, Soler, Miguel A, Zúñiga, José, Requena, Alberto, Kalstein, Adrián, Fernández-Alberti, Sebastián

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Instantaneous normal modes, resonances, and decay channels in the vibrational relaxation of the amide I mode of N-methylacetamide-D in liquid deuterated water by Bastida, Adolfo, Soler, Miguel Angel, Zúñiga, José, Requena, Alberto, Kalstein, Adrián, Fernández-Alberti, Sebastián

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Pockets as structural descriptors of EGFR kinase conformations by Hasenahuer, Marcia Anahi, Barletta, German Patricio, Fernandez-Alberti, Sebastián, Parisi, Gustavo, Fornasari, María Silvina

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Evolutionary conservation of protein backbone flexibility by Maguid, Sandra, Fernández-Alberti, Sebastián, Parisi, Gustavo, Echave, Julián

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Tuning Electronic Relaxation of Nanorings Through Their Interlocking by Alfonso‐Hernandez, Laura, Freixas, Victor M., Gibson, Tammie, Tretiak, Sergei, Fernandez‐Alberti, Sebastian

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Electronic Delocalization, Vibrational Dynamics, and Energy Transfer in Organic Chromophores by Nelson, Tammie, Fernandez-Alberti, Sebastian, Roitberg, Adrian E, Tretiak, Sergei

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Molecular Dynamics Simulations and Instantaneous Normal-Mode Analysis of the Vibrational Relaxation of the C−H Stretching Modes of N-methylacetamide-d in Liquid Deuterated Water by Bastida, Adolfo, Soler, Miguel A, Zúñiga, José, Requena, Alberto, Kalstein, Adrián, Fernández-Alberti, Sebastian

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Vibrational dynamics of polyatomic molecules in solution: assignment, time evolution and mixing of instantaneous normal modes by Kalstein, Adrián, Fernández-Alberti, Sebastián, Bastida, Adolfo, Soler, Miguel Angel, Farag, Marwa H., Zúñiga, José, Requena, Alberto

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Analysis of changes of cavity volumes in predefined directions of protein motions and cavity flexibility by Barletta, German P., Barletta, Matias, Saldaño, Tadeo E., Fernandez‐Alberti, Sebastian

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Dynamics of exciplex formation in rare gas media by Rojas-Lorenzo, Germán, Rubayo-Soneira, Jesús, Alberti, Sebastián Fernández

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Correction: Pockets as structural descriptors of EGFR kinase conformations by Hasenahuer, Marcia Anahi, Barletta, German Patricio, Fernandez-Alberti, Sebastián, Parisi, Gustavo, Fornasari, María Silvina

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Dynamics fingerprints of active conformers of epidermal growth factor receptor kinase by Barletta, German P., Hasenahuer, Marcia Anahi, Fornasari, Maria Silvina, Parisi, Gustavo, Fernandez‐Alberti, Sebastian

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Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials by Nelson, Tammie R, White, Alexander J, Bjorgaard, Josiah A, Sifain, Andrew E, Zhang, Yu, Nebgen, Benjamin, Fernandez-Alberti, Sebastian, Mozyrsky, Dmitry, Roitberg, Adrian E, Tretiak, Sergei

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Nonadiabatic Excited-State Molecular Dynamics: Modeling Photophysics in Organic Conjugated Materials by Nelson, Tammie, Fernandez-Alberti, Sebastian, Roitberg, Adrian E, Tretiak, Sergei

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Impact of protein conformational diversity on AlphaFold predictions by Saldaño, Tadeo, Escobedo, Nahuel, Marchetti, Julia, Zea, Diego Javier, Mac Donagh, Juan, Velez Rueda, Ana Julia, Gonik, Eduardo, García Melani, Agustina, Novomisky Nechcoff, Julieta, Salas, Martín N, Peters, Tomás, Demitroff, Nicolás, Fernandez Alberti, Sebastian, Palopoli, Nicolas, Fornasari, Maria Silvina, Parisi, Gustavo

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Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules by Fernandez-Alberti, Sebastian, Roitberg, Adrian E, Nelson, Tammie, Tretiak, Sergei

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Nonadiabatic excited-state molecular dynamics: treatment of electronic decoherence by Nelson, Tammie, Fernandez-Alberti, Sebastian, Roitberg, Adrian E, Tretiak, Sergei

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NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations by Malone, Walter, Nebgen, Benjamin, White, Alexander, Zhang, Yu, Song, Huajing, Bjorgaard, Josiah A, Sifain, Andrew E, Rodriguez-Hernandez, Beatriz, Freixas, Victor M, Fernandez-Alberti, Sebastian, Roitberg, Adrian E, Nelson, Tammie R, Tretiak, Sergei

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Nonadiabatic Excited-State Molecular Dynamics Modeling of Photoinduced Dynamics in Conjugated Molecules by Nelson, Tammie, Fernandez-Alberti, Sebastian, Chernyak, Vladimir, Roitberg, Adrian E, Tretiak, Sergei

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Coherent exciton-vibrational dynamics and energy transfer in conjugated organics by Nelson, Tammie R., Ondarse-Alvarez, Dianelys, Oldani, Nicolas, Rodriguez-Hernandez, Beatriz, Alfonso-Hernandez, Laura, Galindo, Johan F., Kleiman, Valeria D., Fernandez-Alberti, Sebastian, Roitberg, Adrian E., Tretiak, Sergei

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