Roitberg, Adrián

PRODUCCION CIENTÍFICO TECNOLÓGICA

Mostrando ítems 1-20 de 31

Página siguiente

Artículo Coarse-grained simulations of heme proteins: Validation and study of large conformational transitions

Ramírez, Claudia Lilián ; Petruk, Ariel Alcides ; Bringas, Mauro ; Estrin, Dario Ariel ; Roitberg, Adrián; Marti, Marcelo Adrian ; Capece, Luciana (American Chemical Society, 2016-07)
Artículo Coherent exciton-vibrational dynamics and energy transfer in conjugated organics

Nelson, Tammie R.; Ondarse Alvarez, Dianelys ; Oldani, Andres Nicolas ; Rodríguez Hernández, Beatriz ; Alfonso Hernandez, Laura ; Galindo, Johan F.; Kleiman, Valeria D.; Fernández Alberti, Sebastián ; Roitberg, Adrián; Tretiak, Sergei (Nature Publishing Group, 2018-12)
Artículo Conformational disorder in energy transfer: beyond Förster theory

Nelson, Tammie; Fernández Alberti, Sebastián ; Roitberg, Adrián; Tretiak, Sergei (Royal Society of Chemistry, 2013-04)
Artículo Dynamics of Energy Transfer in a Conjugated Dendrimer Driven by Ultrafast Localization of Excitations

Galindo Cruz, Johan Fabian; Atas, Evrim; Altan, Aysun; Kuroda, Daniel G.; Fernández Alberti, Sebastián ; Tretiak, Sergei; Roitberg, Adrián; Kleiman, Valeria D. (American Chemical Society, 2015-06)
Artículo Electronic Delocalization, Vibrational Dynamics, and Energy Transfer in Organic Chromophores

Nelson, Tammie; Fernández Alberti, Sebastián ; Roitberg, Adrián; Tretiak, Sergei (American Chemical Society, 2017-06)
Artículo Electronic excited state-specific IR spectra for phenylene ethynylene dendrimer building blocks

Galindo Cruz, Johan Fabian; Fernández Alberti, Sebastián ; Roitberg, Adrián (American Chemical Society, 2013-11)
Artículo Folding and Dynamics Are Strongly pH-Dependent in a Psychrophile Frataxin

González Lebrero, Rodolfo M.; Defelipe, Lucas Alfredo ; Modenutti, Carlos Pablo ; Roitberg, Adrián; Batastini, Nicolás Alejandro ; Noguera, Martín Ezequiel ; Santos, Javier ; Roman, Ernesto Andres (American Chemical Society, 2019-09)
Artículo Free energy computations identify the mutations required to confer trans-sialidase activity into Trypanosoma rangeli sialidase

Pierdominici Sottile, Gustavo ; Palma, Juliana Isabel ; Roitberg, Adrián (Wiley, 2013-10)
Artículo Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules

Fernández Alberti, Sebastián ; Roitberg, Adrián; Nelson, Tammie; Tretiak, Sergei (American Institute of Physics, 2012-06)
Artículo Improving Efficiency in SMD Simulations Through a Hybrid Differential Relaxation Algorithm

Ramírez, Claudia Lilián ; Zeida Camacho, Ari Fernando ; Jara, Gabriel Ernesto ; Roitberg, Adrián; Marti, Marcelo Adrian (American Chemical Society, 2014-01)
Artículo Molecular and functional characterization of a juvenile hormone acid methyltransferase expressed in the corpora allata of mosquitoes

Mayoral, Jaime G.; Nouzova, Marcela; Yoshiyama, Michiyo; Shinoda, Tetsuro; Hernandez Martinez, Salvador; Dolghih, Elena; Turjanski, Adrian ; Roitberg, Adrián; Priestap, Horacio; Perez, Mario; Mackenzie, Lucy; Li, Yiping; Noriega, Fernando G. (Pergamon-Elsevier Science Ltd, 2009-01)
Artículo Molecular basis for the ph dependent structural transition of nitrophorin 4

Marti, Marcelo Adrian ; Estrin, Dario Ariel ; Roitberg, Adrián (American Chemical Society, 2009-02)
Artículo NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations

Malone, Walter; Nebgen, Benjamin; White, Alexander; Zhang, Yu; Song, Huajing; Bjorgaard, Josiah A.; Sifain, Andrew E.; Rodríguez Hernández, Beatriz ; Freixas Lemus, Victor Manuel ; Fernández Alberti, Sebastián ; Roitberg, Adrián; Nelson, Tammie R.; Tretiak, Sergei (American Chemical Society, 2020-07)
Artículo Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials

Nelson, Tammie R.; White, Alexander J.; Bjorgaard, Josiah A.; Sifain, Andrew E.; Zhang, Yu; Nebgen, Benjamin; Fernández Alberti, Sebastián ; Mozyrsky, Dmitry; Roitberg, Adrián; Tretiak, Sergei (American Chemical Society, 2020-02)
Artículo Nonadiabatic excited-state molecular dynamics: Numerical tests of convergence and parameters

Nelson, Tammie; Fernández Alberti, Sebastián ; Chernyak, Vladimir; Roitberg, Adrián; Tretiak, Sergei (American Institute of Physics, 2012-01)
Artículo Nonadiabatic excited-state molecular dynamics: treatment of electronic Decoherence

Nelson, Tammie; Fernández Alberti, Sebastián ; Roitberg, Adrián; Tretiak, Sergei (American Institute of Physics, 2013-06)
Artículo On the analysis and comparison of conformer-specific essential dynamics upon ligand binding to a protein

Grosso, Marcos Alberto ; Kalstein, Adrian ; Parisi, Gustavo Daniel ; Roitberg, Adrián; Fernández Alberti, Sebastián (American Institute of Physics, 2015-06)
Artículo P38γ activation triggers dynamical changes in allosteric docking sites

Rodriguez Limardo, Ramiro Gonzalo ; Ferreiro, Dardo N.; Roitberg, Adrián; Marti, Marcelo Adrian ; Turjanski, Adrian (American Chemical Society, 2011-03)
Artículo pH-dependent mechanism of nitric oxide release in nitrophorins 2 and 4

Swails, Jason M.; Meng, Yilin; Walker, F. Ann; Marti, Marcelo Adrian ; Estrin, Dario Ariel ; Roitberg, Adrián (American Chemical Society, 2009-01)
Artículo Photoexcited Nonadiabatic Dynamics of Solvated Push–Pull π-Conjugated Oligomers with the NEXMD Software

Sifain, Andrew E.; Bjorgaard, Josiah A.; Nelson, Tammie R.; Nebgen, Benjamin T.; White, Alexander J.; Gifford, Brendan J.; Gao, David W.; Prezhdo, Oleg V.; Fernández Alberti, Sebastián ; Roitberg, Adrián; Tretiak, Sergei (American Chemical Society, 2018-06)

Mostrando ítems 1-20 de 31

Página siguiente