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Can Non-steroidal Anti-inflammatory Drugs Affect the Interaction Between Receptor Binding Domain of SARS-COV-2 Spike and the Human ACE2 Receptor? A Computational Biophysical Study
ArticleAbstract: SARS-CoV-2 has caused millions of infections and more than 600,000 deaths worldwide. Despite the larPalabras claves:covid-19, Molecular docking, molecular dynamics, NSAIDS, SARS-COV-2Autores:Alvarado Y.J., Fernández-Materán F.V., González-Paz L.A., Joan Vera-Villalobos, José Luis Paz, Lossada C.A.Fuentes:scopusAbsorptive and dispersive responses in a two-level molecule with vibronic coupling: Permanent dipole moments effects
ArticleAbstract: Profiles of the nonlinear optical properties of a two-level system interacting with a thermal reservPalabras claves:Four wave mixing, Intramolecular coupling, Nonlinear optical properties, Permanent dipole momentsAutores:Alvarado Y.J., Garrido Schaeffer A., González-Paz L.A., Joan R. Vera V., Joan Vera-Villalobos, José Luis Paz, Jose R. Mora, Loroño M.A., Marquez E.A.Fuentes:googlescopusIntrinsic Dynamics of the ClpXP Proteolytic Machine Using Elastic Network Models
ArticleAbstract: ClpXP complex is an ATP-dependent mitochondrial matrix protease that binds, unfolds, translocates, aPalabras claves:Autores:Alvarado Y.J., Cardenas Castillo R.E., Fernández-Materán F.V., González-Paz L.A., Hurtado-León M.L., José Luis Paz, Lossada C.A., Parvizi S., Romero F.Fuentes:scopusReaction mechanism of the gas-phase pyrolysis of N – Acetylthiourea and N, N’–diacetylthiourea: A theoretical study based in density functional theory
ArticleAbstract: In the present study, we propose a reaction mechanism for the decomposition of N -Acetylthiourea andPalabras claves:Independent Gradient Model, non-covalent interactions, Theoretical calculation, Wiberg bond indexAutores:Alvarado Y.J., Córdova-Sintjago T.C., González-Paz L.A., Joan Vera-Villalobos, Jose R. Mora, Loroño G. M.A., Luis Paz J., Marquez E.A., Mendoza I.Fuentes:scopusProduction of biosurfactants by pseudomonas aeruginosa in the presence of polyolefin oligomers: Implications in cystic fibrosis
ArticleAbstract:Palabras claves:Autores:Alvarado Y.J., González-Paz L.A., Lossada C.A., Luis S. Moncayo, Parra A.E., Parra M.M., Pérez A.E., Sierra C.Fuentes:scopusNonlinear optical responses of molecular systems with vibronic coupling in fluctuating environments
ArticleAbstract: The topological profiles of the nonlinear optical properties of a two-level molecular system involviPalabras claves:four-wave mixing, Nonlinear optical properties, stochastic, vibronicAutores:Alvarado Y.J., González-Paz L.A., Joan R. Vera V., Joan Vera-Villalobos, José Luis Paz, Jose R. Mora, Loroño M.A., Marquez E.A.Fuentes:googlescopusSolvent randomness and intramolecular considerations of optical responses in four-wave mixing
ArticleAbstract: We determined the optical profiles of a molecular system coupled with a thermal bath in presence ofPalabras claves:Cumulant expansions, intramolecular, optical responses, vibronicAutores:Alvarado Y.J., González-Paz L.A., Joan R. Vera V., Joan Vera-Villalobos, José Luis Paz, Jose R. Mora, Loroño M.A., Marquez E.A., Patricio Javier Espinoza-MonteroFuentes:googlescopusStochastic Nature and Intramolecular Coupling in Optical Response Profiles: Critical Analysis through Semiclassical Models
ReviewAbstract: We have studied the nonlinear absorptive and dispersive responses considering a molecular system conPalabras claves:Autores:Alvarado Y.J., González-Paz L.A., José Luis Paz, Jose R. Mora, Loroño M.A., Marquez E.A.Fuentes:scopus