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European Biophysics Journal(1)
IEEE Transactions on Terahertz Science and Technology(1)
International Journal of Mass Spectrometry(1)
International Journal of Quantum Chemistry(1)
Journal of Lipid Research(1)
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Química analítica(4)
Bioquímica(2)
Ciencias de la computación(1)
Farmacología y terapéutica(1)
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Fast calculation of the infrared spectra of large biomolecules
ArticleAbstract: Vibrational spectra of proteins potentially give insight into biologically significant molecular motPalabras claves:Equation of motion, Infrared, Macromolecules, molecular dynamics, proteinsAutores:Mott A., Rez P., Saravana Prakash Thirumuruganandham, Thorpe M.Fuentes:googlescopusExperimental Studies on TiO<inf>2</inf> NT with Metal Dopants through Co-Precipitation, Sol–Gel, Hydrothermal Scheme and Corresponding Computational Molecular Evaluations
ReviewAbstract: In the last decade, TiO2 nanotubes have attracted the attention of the scientific community and induPalabras claves:co-precipitation, DFT, Hydrothermal, metal oxide, metallic dopants, molecular dynamics, nanobatteries, rutile and anatase nanotube, Sol–gel, SynthesisAutores:Eduardo Patricio Estévez Ruiz, Lago J.L., Saravana Prakash ThirumuruganandhamFuentes: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:googlescopusTerahertz Spectroscopy to Determine Cold Shock Protein Stability Upon Solvation and Evaporation-A Molecular Dynamics Study
ArticleAbstract: Infrared (IR) and terahertz (THz) spectroscopy simulations were carried out using CHARMM35b2 to detePalabras claves:Cold shock proteins (Csps), desolvation spectra, molecular dynamics, thermologues, vibrational modesAutores:Gómez E.A., Hamblin M.R., Lakshmanan S., Saravana Prakash ThirumuruganandhamFuentes:googlescopus