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Low-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:googlescopus