electronic properties calculated from the 3d structure of the molecules

Báo cáo hóa học: "Recovery and Visualization of 3D Structure of Chromosomes from Tomographic Reconstruction Images" potx

Báo cáo hóa học: "Recovery and Visualization of 3D Structure of Chromosomes from Tomographic Reconstruction Images" potx

Ngày tải lên : 22/06/2014, 23:20
... in detail the various steps of our methodology and show results of the visualizations of the reconstructed Drosophila chromosomes METHODOLOGY 2.1 Overview of the approach The objective of our research ... even when the chromosome breaks into multiple regions in some slices (5) Visualization of the chromosome in 3D consists of two steps Initially, we extract a set of nodes from the contour of a single ... histograms of the slices are either unimodal or multimodal The histograms of the top-end and bottom-end slices are unimodal, as those slices contain background only The histograms of the middle...
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CLINICAL EPIDEMIOLOGY OF ACUTE LYMPHOBLASTIC LEUKEMIA - FROM THE MOLECULES TO THE CLINIC docx

CLINICAL EPIDEMIOLOGY OF ACUTE LYMPHOBLASTIC LEUKEMIA - FROM THE MOLECULES TO THE CLINIC docx

Ngày tải lên : 17/03/2014, 12:20
... pothesis have attempted to include these theories [5-8] The theory of Greaves and that of Kinlen have been discussed in one of the chapters in this book One of the limitations of the theory of ... the peak age of onset of ALL reflects the degree of susceptibility with which a child is born and, on the other hand, the degree of proliferation of the cells involved in the development of the ... factor, the effect of said exposure will vary according to the stage of development of the in‐ dividual or of the particular organ [47-52] Some of the factors that can influence the toxicity of a...
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adobe flex 4.5 fundamentals [electronic resource] training from the source

adobe flex 4.5 fundamentals [electronic resource] training from the source

Ngày tải lên : 29/05/2014, 13:56
... different from the rest of the text Single lines of ActionScript code that are longer than the margins of the page are wrapped to the next line They are designated by an arrow at the beginning of the ... The web server sends the page (dynamic or static) back to the browser The browser draws the page in place of whatever was previously displayed Even when most of the content of the previous page is identical to the new page, the entire new page needs to be sent to the browser and rendered ... Directory structure Adobe Training from the Source The Adobe Training from the Source and Adobe Advanced Training from the Source series are developed in association with Adobe and reviewed by the...
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Báo cáo khoa học: H NMR study of the molecular structure and magnetic properties of the active site for the cyanomet complex of O2-avid hemoglobin from the trematode Paramphistomum epiclitum pdf

Báo cáo khoa học: H NMR study of the molecular structure and magnetic properties of the active site for the cyanomet complex of O2-avid hemoglobin from the trematode Paramphistomum epiclitum pdf

Ngày tải lên : 23/03/2014, 17:22
... is the angle between the projection of the tilt of the z axis on the xÂ, y plane (dened direction of tilt of z and the x axis), and j % a + c denes the location of the rhombic (x, y) axes The ... The two structures of WT metHb and rWT metHbH2O, exhibit signicant differences in the interaction of the FG loop with the heme and in the position of the B-helix, with Tyr32(B10) closer to the ... of the protein that we have characterized above Thus parts of the FG corner move away from the heme and the B-helix moves closer to the heme in the WT metHb than in the rWT metHbH2O crystal structure, ...
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Tài liệu Báo cáo khoa học: Crystal structure of importin-a bound to a peptide bearing the nuclear localisation signal from chloride intracellular channel protein 4 ppt

Tài liệu Báo cáo khoa học: Crystal structure of importin-a bound to a peptide bearing the nuclear localisation signal from chloride intracellular channel protein 4 ppt

Ngày tải lên : 14/02/2014, 19:20
... primarily occurs by the formation of a hydrogen bond between the side-chain hydroxyl group of Tyr205 and the importin-a main chain at the C-terminus of the ARM1 H3 helix The hydrogen bond is ... recalculated The normalized B factors from apo importin-a were then subtracted from those in the importin-a:CLIC4 NLS structure, and the difference was again normalized using the equation above The final ... been calculated by comparing the importin-a:CLIC4 NLS experimental electron density with density calculated from the model The CLIC4 NLS main chain fits the density well, with an average RSCC of...
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Tài liệu Báo cáo khoa học: Crystal structure of the cambialistic superoxide dismutase from Aeropyrum pernix K1 – insights into the enzyme mechanism and stability pdf

Tài liệu Báo cáo khoa học: Crystal structure of the cambialistic superoxide dismutase from Aeropyrum pernix K1 – insights into the enzyme mechanism and stability pdf

Ngày tải lên : 14/02/2014, 22:20
... NE2 of His31, bound to the metal, in the company of a water oxygen, from the apical positions The manga˚ nese was only 0.06 A out of the equatorial plane (Table 3) The angles around the metal cofactor ... on the coordination of the metal cofactor in the active site as well as the changes it experiences in response to different metal cofactors Finally, by comparing ApeSOD with the SOD from the thermophilic ... similar; the rmsd of the 747 Ca atoms was ˚ 0.695 A ApeSOD eluted from the gel-filtration column with the elution volume for a molecular mass of 57 kDa (Fig 2A) Because the calculated molecular mass of...
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Tài liệu Báo cáo khoa học: Structure of the putative 32 kDa myrosinase-binding protein from Arabidopsis (At3g16450.1) determined by SAIL-NMR docx

Tài liệu Báo cáo khoa học: Structure of the putative 32 kDa myrosinase-binding protein from Arabidopsis (At3g16450.1) determined by SAIL-NMR docx

Ngày tải lên : 18/02/2014, 14:20
... constraints Solution structure of SAIL At3g16450.1 Assignment of the NOE peaks of At3g16450.1 and the structure determination were accomplished by use of the cyana program [17,18] The structural statistics ... analysis of At3g16450.1 with sugars Fig Three-dimensional NMR structure of At3g16450.1 (A) Superposition of the 20 energy-minimized conformers that represent the 3D solution structure of the N-terminal ... backbone trace of the NMR structure of the C-terminal domain 1JOT), a plant lectin, as the closest structure The root mean square deviation values for the N- and C-terminal ˚ domains versus the agglutinin...
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Tài liệu Báo cáo khoa học: Crystal structure of the BcZBP, a zinc-binding protein from Bacillus cereus doc

Tài liệu Báo cáo khoa học: Crystal structure of the BcZBP, a zinc-binding protein from Bacillus cereus doc

Ngày tải lên : 19/02/2014, 00:20
... gray indicates the C-terminal part The dimer’s formation is established by the incorporation of the b8-strand of one monomer into a b-sheet of the other monomer The position of the zinc ion is ... and determines the shape of the active site entry (e) The structure of the active site is essentially identical with the active sites of the MshB and LpxC proteins The conservation of catalytically ... the presence of acetate in the crystal structure The binding of acetate in the active site is a further indication that the enzyme may be involved in deacetylation because acetate is one of the...
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Tài liệu Báo cáo khoa học: Spectroscopic characterization of a higher plant heme oxygenase isoform-1 from Glycine max (soybean) ) coordination structure of the heme complex and catabolism of heme docx

Tài liệu Báo cáo khoa học: Spectroscopic characterization of a higher plant heme oxygenase isoform-1 from Glycine max (soybean) ) coordination structure of the heme complex and catabolism of heme docx

Ngày tải lên : 19/02/2014, 05:20
... information on the heme pocket structure As shown in Table 2, the hyperfine splitting constants of the 15N nucleus of the distal NO and of the 14N nucleus of the proximal His of the GmHO-1 complex ... of the heme pocket of GmHO-1 might be associated with the smaller values of Kazide for GmHO-1 and SynHO-1, and with the ferric character of the heme The Kimidazole values of the three kinds of ... unique structure of the opening of the heme pocket of GmHO-1 Such a structure might inhibit the approach of imidazole to the heme in GmHO-1, explaining the smallest Kimidazole value Mechanism of...
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Tài liệu Báo cáo khoa học: ˚ The 1.8 A crystal structure of a proteinase K-like enzyme from a psychrotroph Serratia species docx

Tài liệu Báo cáo khoa học: ˚ The 1.8 A crystal structure of a proteinase K-like enzyme from a psychrotroph Serratia species docx

Ngày tải lên : 19/02/2014, 07:20
... arrangement, and the side chain of Ser97 in VPRK is too short One side of the loop is involved in the binding of the P2–P4 residues of a substrate The other side of the loop is close to Arg94 (Lys ... a residue forming a part of the S2 site of the enzyme The disulfide bridge restricts the flexibility of a tight loop which is part of the S2 site The tight loop is further stabilized by a tight ... regions in the three proteinase K structures can be considered to display differences in the fold of the main chains None of these includes any of the binding sites, but some are located in the vicinity...
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Tài liệu Báo cáo khoa học: Properties of the recombinant glucose⁄galactose dehydrogenase from the extreme thermoacidophile, Picrophilus torridus ppt

Tài liệu Báo cáo khoa học: Properties of the recombinant glucose⁄galactose dehydrogenase from the extreme thermoacidophile, Picrophilus torridus ppt

Ngày tải lên : 19/02/2014, 16:20
... containing the structural zinc at the mouth of the cleft and thus exposed to the solvent [8] Gradual depletion of the enzyme first of the structural and then of the catalytic zinc has also been ... Novagen Expression of Pt-gdh under the control of araB promoter was induced for h at 30 °C by the addition of 0.2% arabinose when the A600 of the growing culture reached 0.5 The cells from a 1-L culture ... UÆmg)1) the remaining activity did not differ from that of the sample incubated in the absence of salts (data not shown) Also, EDTA completely abolished the stabilizing effect of Zn2+ When the enzyme...
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Tài liệu Báo cáo khoa học: Crystal structure of thiamindiphosphate-dependent indolepyruvate decarboxylase from Enterobacter cloacae, an enzyme involved in the biosynthesis of the plant hormone indole-3-acetic acid doc

Tài liệu Báo cáo khoa học: Crystal structure of thiamindiphosphate-dependent indolepyruvate decarboxylase from Enterobacter cloacae, an enzyme involved in the biosynthesis of the plant hormone indole-3-acetic acid doc

Ngày tải lên : 20/02/2014, 11:20
... However, the packing of the two dimers in the tetramer is different from that of the PDCs of known structure, best described as a 20° rotation of one dimer towards the other when compared to the Z ... in all of the tetrameric PDCs of known three-dimensional structure Binding of the cofactors ThDP and Mg2+ The homo-tetrameric IPDC binds four molecules of the cofactors ThDP and Mg2+ The ThDP ... catalytic residues The active site cavity in IPDC extends from the thiazolium ring of the cofactor to the surface of the protein The entrance of the active site cleft is covered by the C-terminal...
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Tài liệu Báo cáo khoa học: Complete subunit sequences, structure and evolution of the 6 · 6-mer hemocyanin from the common house centipede, Scutigera coleoptrata pptx

Tài liệu Báo cáo khoa học: Complete subunit sequences, structure and evolution of the 6 · 6-mer hemocyanin from the common house centipede, Scutigera coleoptrata pptx

Ngày tải lên : 20/02/2014, 11:20
... [41,44], although the support values in the present are significantly higher This observation supports the notion of the usefulness of hemocyanin sequences for the resolution of the arthropod phylogenetic ... deduced from the pattern of identical peptide masses The subunits were named HcA to Protein structure modeling Homology models of the S coleoptrata hemocyanin subunits were built applying the online ... PAGE (Figs and 2; Table 1) The N-terminal amino acid sequences (see above) allow the assignment of the HcA clone to the major sequence of the upper hemocyanin band in the SDS/PAGE gel (Fig 1) Two...
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Tài liệu Báo cáo khoa học: The structure of the carbohydrate backbone of the lipopolysaccharide from Acinetobacter baumannii strain ATCC 19606 docx

Tài liệu Báo cáo khoa học: The structure of the carbohydrate backbone of the lipopolysaccharide from Acinetobacter baumannii strain ATCC 19606 docx

Ngày tải lên : 21/02/2014, 03:20
... biosynthesis of Escherichia coli Fig The complete chemical structure of the carbohydrate backbone of the LPS from Acinetobacter baumannii strain ATCC 19606 Ó FEBS 2002 [26,27] Then, the biosynthesis ... combined to a complete structure of the carbohydrate backbone of the LPS from A baumannii strain ATCC 19606 as depicted in Fig The structures of four core regions from LPS of different Acinetobacter ... Monosaccharide analyses of the LPS from A baumannii strain ATCC 19606 revealed the presence of D-Glc, D-GlcN, D-GalN, and Kdo The D-con®guration of Kdo was determined on the basis of the optical rotation...
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Báo cáo khoa học: Crystal structure of salt-tolerant glutaminase from Micrococcus luteus K-3 in the presence and absence of its product L-glutamate and its activator Tris pdf

Báo cáo khoa học: Crystal structure of salt-tolerant glutaminase from Micrococcus luteus K-3 in the presence and absence of its product L-glutamate and its activator Tris pdf

Ngày tải lên : 06/03/2014, 09:22
... for the N structure The G and TG structures were solved using the N structure as a search model, and the TG structure was used in phasing of the T structure The structures were refined using the ... typically increased the free R values by 0.1% Although the R and free R values of the four structures were in the range of the values of the published structures, those of the N and G structures were ... aa) in the T and TG structures are aligned b Backbone atoms of Bacillus glutaminase are superimposed on those of the liganded enzyme c The value of Tyr27 is excluded from the calculation of the...
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Báo cáo khoa học: Structure of coenzyme F420H2 oxidase (FprA), a di-iron flavoprotein from methanogenic Archaea catalyzing the reduction of O2 to H2O ppt

Báo cáo khoa học: Structure of coenzyme F420H2 oxidase (FprA), a di-iron flavoprotein from methanogenic Archaea catalyzing the reduction of O2 to H2O ppt

Ngày tải lên : 07/03/2014, 10:20
... between the isoalloxazine ring of FMN and the segment between His151 and Pro153 of the switch loop, whereby the imidazole group of His151 interacts with the bottom of F420H2 and the side chain of ... Ca atoms of the two models) The phases for the other two crystals were obtained by molecular replacement using the model from the air-exposed monoclinic crystals [47] Refinement of the structures ... crystal structures of rubredoxin:NO ⁄ O2 oxidoreductases from D gigas and of rubredoxin: NO ⁄ O2 oxidoreductase from Mo thermoacetica, the pocket is filled up from the entrance side by the side...
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Báo cáo khoa học: Solution structure of the catalytic domain of RICH protein from goldfish pot

Báo cáo khoa học: Solution structure of the catalytic domain of RICH protein from goldfish pot

Ngày tải lên : 07/03/2014, 10:20
... The Authors Journal compilation ª 2007 FEBS 1601 Solution structure of the RICH catalytic domain G Kozlov et al Results Structure of the RICH catalytic domain We determined the structure of the ... structures The lowest-energy structure from the RICH NMR ensemble is used for the overlay (D) The surface of the RICH catalytic domain shows several negatively charged patches of residues The catalytic ... (B) Representation of flexibility in the solution structure of the RICH catalytic domain The width of the sausage is reversely proportional to the heteronuclear NOE values The figure was generated...
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Báo cáo khoa học: Detailed structure of lipid A isolated from lipopolysaccharide from the marine proteobacterium Marinomonas vaga ATCC 27119T pot

Báo cáo khoa học: Detailed structure of lipid A isolated from lipopolysaccharide from the marine proteobacterium Marinomonas vaga ATCC 27119T pot

Ngày tải lên : 07/03/2014, 15:20
... and the other one is the secondary fatty acid at C3 of the amide-linked C10 : (3OH) Based on the above results together with the analyses of chemical composition and NMR data, the structure of ... structural elucidation of lipid A from the marine proteobacterium M vaga To the best of our knowledge, this is the second complete structure of lipid A from a marine bacterium (lipid A from wild-type ... Evidente, A & Surico, G (2002) Determination of the structure of the lipid A from the lipopolysaccharide of Pseudomonas cichorii by means of NMR and MALDI-TOF mass spectrometry Eur J Org Chem 18,...
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Báo cáo khoa học: Solution structure of the active-centre mutant I14A of the histidinecontaining phosphocarrier protein from Staphylococcus carnosus ppt

Báo cáo khoa học: Solution structure of the active-centre mutant I14A of the histidinecontaining phosphocarrier protein from Staphylococcus carnosus ppt

Ngày tải lên : 07/03/2014, 16:20
... regions Fig Structure ensemble of HPr(I14A) The average structure of the 10 lowest-energy structures out of 300 calculated with CNS is shown The radius of the spline reflects the RMSD values of the Ca ... used for the calculations Therefore, we recalculated the structure of the wild-type protein on the basis of the restraints used previously [15] with the same protocol used here for the Incidence ... computed as the ratio of the standard deviations of the chemical shifts of the amide nitrogen and proton nuclei Results Determination of the three-dimensional structure of HPr(I14A) To allow the comparison...
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Báo cáo khoa học: Unravelling the functional interaction structure of a cellular network from temporal slope information of experimental data docx

Báo cáo khoa học: Unravelling the functional interaction structure of a cellular network from temporal slope information of experimental data docx

Ngày tải lên : 07/03/2014, 21:20
... particular, if fij > then we interpret that the node j activates the node i by increasing the net rate of xi and if fij < then the node j inhibits the node i We note that the dynamics of the system in ... variables of the network From Eqn 1, we can identify the functional interaction structure of a network if ½x i; j nÞ at we reveal the sign of fij ½xðt ފ ¼ @fi@xðj t ފ ð1 some time t under the assumption ... find the functional interaction structure, dt i.e the sign of fij As it is difficult to find out the exact value of dxi from experimental data, we restrict dt ourselves to utilizing only the sign of...
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