Molecular modeling of localized collective motions and dynamics in proteins

... understand the function of proteins requires a scientific investigation of protein motion and dynamics 1.2 Structure basis for protein motion and dynamics The motions of the atoms in a protein tend ... real protein motions often has a combination of both motions, i.e., hinges in one part of the protein and shearing interfaces elsewhere Nevertheless, many protein...

Ngày tải lên: 17/09/2015, 17:17

... most special type of faceted boundary is the twin boundary Various types of twin boundaries including deformation twins, transformation twins and growth twins with twin sizes ranging from a few ... studies indicate the ultrahigh strength of nanotwinned crystalline metals is related to nanotwin induced interface strengthening The increase in strength with decreasing grain siz...

Ngày tải lên: 11/09/2015, 10:03

... collective, and the interactions of molecules and forces which can bring about the motion of cells 1.5.1 Part I: Investigating actin dynamics in circular dorsal ruffles In the first study, the phenomenon of ... behaviour in collective cell migration shows that single cell migration, although the driving force behind collective cell migration, is unable to f...

Ngày tải lên: 09/09/2015, 18:51

... has already established Of two possible dimeric structures of LPL, the head-tohead and the head-to-tail models, the studies of the chimeric proteins of hepatic lipase and LPL and the tandem repeat ... (Fig 4A and B, 5) The lipase activity of the K413A mutant is similar to that of wild type LPL, whereas the esterase activity is reduced to 60% of t...

Ngày tải lên: 21/02/2014, 15:20

... bonds stabilizes a conformational epitope of the apical membrane antigen-1 of Plasmodium falciparum [27] Although the sequential epitope of VP1 of foot and mouth disease does not contain intramolecular ... induced against the linear isoform of the HNE peptide Although the binding pattern may be somewhat blurred by these antibodies and by the polyclonal nature...

Ngày tải lên: 08/03/2014, 08:20

... blue) and standard (magenta) substrates after ns of MD (C) Overlay of positions of N-propionyl modified (light blue) and standard (magenta) substrates after ns of MD (D) Molecular surface of the ... carbohydrates (left panel), protein (middle panel) and for enzymatic activity (right panel) Lane 1, PoHex; lane 2, PoHex plus Endo H; lane 3, PoHex plus a-mannosidase; lane 4, E...

Ngày tải lên: 14/03/2014, 23:20

... reference to Coordination chemistry of pyrazolone based schiff bases relevant to uranyl 663 Table 4b1 Various bond length of compound (5) S No Atoms Actual bond length Optimal bond length S No Atoms ... satisfactory analytical data and all the studies presented above suggest that the complexes are of the compositions, Coordination chemistry of pyrazolone b...

Ngày tải lên: 02/09/2015, 13:48

... of the dialkoxy derivatives, often used in devices; (iii) 2-amino, 5- amino and 2 ,5- diamino derivatives in which the amino group(s) substitutes the phenylene group; and (iv) 2-cyano, 5- cyano and ... shown in Figure 5. 2 and Table 5. 2 90 E (eV) LUMO -2 -4 -6 -8 HOMO -10 I II III IV V VI VII Figure 5. 2 AM1 calculated energies of HOMO and LUMO of the various unit cells...

Ngày tải lên: 17/09/2015, 17:20

... PDHFDET PDHFCP Table 4. 2 λmax, Em (without methanol) λmax, Em (with methanol) (nm) (nm) 41 8 42 6 41 5 396 41 2 382 45 0 46 5 41 0 41 8 UV-vis absorption spectral parameters of the polymers Polymers PDHF PDHFDET ... Photoluminescence and UV-vis absorption spectral parameters of the polymers are listed in Table 4. 1 and Table 4. 2, respectively Table 4. 1 Photolumi...

Ngày tải lên: 17/09/2015, 17:20

... >11600 2.90 37 9 2.88 451 585 39 PDHFP 11800 1.70 37 1 2.92 446, 431 630 62 PDHFDHP 9400 1.54 32 4 3. 25 409 533 58 PDHFDMOP 27700 1.78 37 2 2.92 425 (448) 580 52 PDHFDHOP 50500 2.00 37 3 2.91 425 (448) ... smaller steric hindrance of alkoxy groups compared with alkyl groups 47 Table 3. 1 Molecular weights and spectral parameters of the polymers 1 .37 λmax, Abs (nm) 37 9...

Ngày tải lên: 17/09/2015, 17:20

... study of electronic structure of conjugated polymers, which contain extended conjugated chain and exhibit unusual color changes 2- 1 -2 Photoluminescence spectroscopy (PL) During the process of ... the aim of overcoming some common defects in MNDO (Modified Neglect of Diatomic Overlap), such as overestimation of energies for sterically crowded molecules and inadequate...

Ngày tải lên: 17/09/2015, 17:20

... structures, stability and processing of conducting polymers The chemical structures of some common conjugated polymers are shown in Table 1. 1 8 Table 1. 1 Polymer Some common conjugated polymers ... Phys Rev B, 19 80, 22, 2099; erratum, 31 1983, 28, 11 38 15 Rice, M J., Phys Lett., 19 79, 71A, 15 2 16 Heeger, A J.; Kivelson, S.; Schrieffer, J R.; Su, W.-P., Rev Mo...

Ngày tải lên: 17/09/2015, 17:20

... diacylglycerols of sea urchin Transplantation 74, 261–267 Mizushina Y, Watanabe I, Ohta K, Takemura M, Sahara H, Takahashi N, Gasa S, Sugawara F, Matsukage A, Yoshida S & Sakaguchi K (1998) Studies ... fragrans J Nat Prod 60, 387–389 Sahara H, Hanashima S, Yamazaki T, Takahashi S, Sugawara F, Ohtani S, Ishikawa M, Mizushina Y, Ohta K, Shimozawa K, et al (2002) Anti-tumor effect of chemic...

Ngày tải lên: 19/02/2014, 17:20

... on the mole¨ cular basis of cytokine receptor signalling – theme and variations – has three movements, like a sonata First, we will look at the basic mechanism and the many variations realized ... membrane and are bound together – oligomerized – in the presence of the ligand Recently, evidence has accumulated that some single-span receptor chains can form...

Ngày tải lên: 15/03/2014, 09:20