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Publisher
Journal of Molecular Modeling(2)
2018 IEEE 3rd Ecuador Technical Chapters Meeting, ETCM 2018(1)
ACS Omega(1)
International Journal of Mass Spectrometry(1)
International Journal of Quantum Chemistry(1)
Área temáticas
Ingeniería y operaciones afines(2)
Instrumentos de precisión y otros dispositivos(2)
Bioquímica(1)
Química física(1)
Ab Initio Calculations of Chitosan Effects on the Electronic Properties of Unpassivated Triangular ZnO Nanowires Oriented along [0001] Directions
ArticleAbstract: In recent years, both chitosan and ZnO nanostructures have been identified as potential antibacteriaPalabras claves:Autores:Baños A.T., Duncan John Mowbray, José Luis Cuevas Figueroa, Martínez M.O., Saravana Prakash Thirumuruganandham, Terencio T.Fuentes:googlescopusErratum: Low-frequency vibrational modes and infrared absorbance of red, blue and green opsin (Journal of Molecular Modeling 10.1007/s00894-008-0446-1)
OtherAbstract:Palabras claves:Autores:Saravana Prakash Thirumuruganandham, Urbassek H.M.Fuentes:scopusEvaporation of solvent molecules by ultrafast heating: Effect on conformation of solvated protein
ArticleAbstract: Using molecular dynamics simulation, we compare two cases of ultrafast heating of a small water dropPalabras claves:Autores:Saravana Prakash Thirumuruganandham, Urbassek H.M.Fuentes:googlescopusLow-frequency vibrational modes and infrared absorbance of red, blue and green opsin
ArticleAbstract: Vibrational excitations of low-frequency collective modes are essential for functionally important cPalabras claves:Infrared absorbance, molecular dynamics, Normal modes, proteins, vibrational modesAutores:Saravana Prakash Thirumuruganandham, Urbassek H.M.Fuentes:googlescopusLow-frequency vibrational modes in blue opsin: A computational study
Conference ObjectAbstract: Vibrational excitations of low-frequency collective modes are essential for functionally important cPalabras claves:Fir spectra, Gpcr proteins, molecular dynamics, Normal modesAutores:Saravana Prakash Thirumuruganandham, Urbassek H.M.Fuentes:googlescopusValidation of previous computer models and MD simulations of discoidal HDL by a recent crystal structure of apoA-I
ArticleAbstract: HDL is a population of apoA-I-containing particles inversely correlated with heart disease. BecausePalabras claves:All-atom simulation, Apolipoprotein A-I, molecular dynamics, X-ray crystallography, α11/3 helixAutores:Catte A., Jones M.K., Saravana Prakash Thirumuruganandham, Segrest J.P.Fuentes:googlescopusProtein isolation through impact desolvation of electrosprayed microdroplets (IDEM): Molecular dynamics simulation
ArticleAbstract: Using molecular dynamics simulation, we investigate the collision of an echistatin molecule embeddedPalabras claves:Conformational change, Impact desolvation, Mass spectrometry, molecular dynamics, Protein-solvent interactionAutores:Saravana Prakash Thirumuruganandham, Urbassek H.M.Fuentes:googlescopusStudies on the structure and electronic properties of Linear Chitosan-Silver nano-composite for biosensor applications
Conference ObjectAbstract: In the present study, we computed the geometrical and electrical influence of silver atoms (Ag) overPalabras claves:biosensors, Chitosan, DFT, Nanomaterials, silver nanoparticlesAutores:Anthony Ramos, Esteban D. Lasso, Gómez E.A., Paranthaman S., Saravana Prakash ThirumuruganandhamFuentes:scopus