Mostrando 10 resultados de: 18
Publisher
Computational and Theoretical Chemistry(3)
International Journal of Chemical Kinetics(2)
International Journal of Quantum Chemistry(2)
ACS Omega(1)
AIP Advances(1)
Comparative study of SARS-CoV-2 infection in different cell types: Biophysical-computational approach to the role of potential receptors
ArticleAbstract: Cellular susceptibility to SARS-CoV-2 infection in the respiratory tract has been associated with thPalabras claves:Cell lines, Cell susceptibility, docking, Macromolecular crowding, Viral spikeAutores:Alvarado M.J., Alvarado Y.J., Fernando Javier Torres, González-Paz L.A., Hurtado-León M.L., Jeffreys L.N., Joan R. Vera V., Joan Vera-Villalobos, José Luis Paz, Loroño M.A., Lossada C.A.Fuentes:googlescopusComparative study of the interaction of ivermectin with proteins of interest associated with SARS-CoV-2: A computational and biophysical approach
ArticleAbstract: The SARS-CoV-2 pandemic has accelerated the study of existing drugs. The mixture of homologs calledPalabras claves:Avermectin, covid-19, Ivermectin, Molecular docking, Molecular dynamic, SARS-COV-2Autores:Alvarado Y.J., Fernández-Materán F.V., González-Paz L.A., Hurtado-León M.L., Jeffreys L.N., Joan R. Vera V., Joan Vera-Villalobos, José Luis Paz, Loroño M.A., Lossada C.A.Fuentes:googlescopusA kinetic model for the equilibrium dynamics of absorption and scattering processes in four-wave mixing spectroscopy
ArticleAbstract: We construct a kinetic model, analogous to a simple chemical reaction, to describe the spatial propaPalabras claves:Autores:Alvarado Y.J., Fernando Javier Torres, González-Paz L.A., José Luis Paz, Jose R. Mora, Loroño M.A., Marquez E.A., Mujica V.Fuentes:scopusDFT studies of homogeneous catalysis in the gas phase: Dehydration kinetics of several tertiary alcohols with hydrogen chloride
Conference ObjectAbstract: The mechanisms for the acid-catalyzed gas-phase dehydration of the tertiary alcohols 2-methyl-2-propPalabras claves:DFT calculations, Gas-phase kinetics, mechanism, tertiary alcoholsAutores:Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Loroño M.A., Marquez D., Marquez E.A.Fuentes:googlescopusAb initio calculations of the gas-phase elimination kinetics of ethyl oxamate, ethyl oxanilate, and ethyl N,N-dimethyl oxamate
Conference ObjectAbstract: Theoretical studies of the gas-phase elimination kinetics of title compounds were performed by usingPalabras claves:"ab initio" calculations, Ethyl N,N-dimethyl oxamate, Ethyl oxamate, Ethyl oxanilate, kinetics, pyrolysis, reaction mechanism, Transition-state structure, Unimolecular eliminationAutores:Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Loroño M.A.Fuentes:googlescopusAbsorptive 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:googlescopusNonlinear 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:googlescopusInteraction of the new inhibitor paxlovid (PF-07321332) and ivermectin with the monomer of the main protease SARS-CoV-2: A volumetric study based on molecular dynamics, elastic networks, classical thermodynamics and SPT
ArticleAbstract: The COVID-19 pandemic has accelerated the study of drugs, most notably ivermectin and more recentlyPalabras claves:ANM, covid-19, GNM, Volume fluctuation, Volume Molar, VoronoiAutores:Alvarado Y.J., Fernando Javier Torres, González-Paz L.A., Hurtado-León M.L., Jeffreys L.N., Joan Vera-Villalobos, José Luis Paz, Loroño M.A., Lossada C.A., Olivarez Y., Vera E., Vivas A.Fuentes:scopusPropagation and Parametric Amplification in Four-Wave Mixing Processes: Intramolecular Coupling and High-Order Effects
ArticleAbstract: A strong pump-power dependence of the four-wave mixing (FWM) signal for an aqueous solution of MalacPalabras claves:Intramolecular coupling, Parametric amplification, Propagation effectsAutores:Alvarado Y.J., Fernando Javier Torres, Fernando Moncada, 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: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:googlescopus