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Journal of Lipid Research(2)
Journal of Molecular Modeling(2)
Biochemistry Research International(1)
European Biophysics Journal(1)
International Journal of Quantum Chemistry(1)
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Química analítica(5)
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A robust all-atom model for LCAT generated by homology modeling
ArticleAbstract: LCAT is activated by apoA-I to form cholesteryl ester. We combined two structures, phospholipase A2Palabras claves:Apolipoproteins, Cholesterol/efflux, High density lipoprotein, Lecithin:cholesterol acyltransferase, Phospholipases/A2Autores:Catte A., Jones M.K., Saravana Prakash Thirumuruganandham, Segrest J.P.Fuentes:googlescopusFast 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: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:googlescopusWater evaporation and conformational changes from partially solvated ubiquitin
ArticleAbstract: Using molecular dynamics simulation, we study the evaporation of water molecules off partially solvaPalabras claves:Autores:Saravana Prakash Thirumuruganandham, Urbassek H.M.Fuentes:googlescopus