role of molecular simulation

... Phase Behavior: Role of Molecular Simulation The rapid development of computational power and advanced computational methods has made it possible to investigate the dynamic behavior of a protein ... understanding of the mechanism of protein crystallization Studies on the effect of anisotropic interaction on the phase behaviour of the non-globular protein could clarify the role of the specific ... Introduction 119 5.2 Molecular Model 123 5.3 124 Simulation Methods 5.4 Results and Discussions 125 5.5 130 Summary Chapter Role of Solvent in Protein Phase Behavior: Influence of Temperature-Dependent...

Ngày tải lên: 14/09/2015, 14:06

... if N is the number of proteins, then n + m = ily of solutions (a one-dimensional set of solutions in a space of three variables; Figure 6) To gain insight into the prevalence of FP and FN stochastic ... expected number of unreciprocated and reciprocated false negatives in the absence of FP errors These numbers are presented in Table Because of the size of PFN, we find that a large number of protein ... assumption of randomness we expect the number of unreciprocated in-edges and out-edges to be similar More precisely, under the assumption that the direction of the edge is random, the number of unreciprocated...

Ngày tải lên: 14/08/2014, 08:20

... result of these various factors is the loss of the integrity of the cartilaginous extracellular matrix (ECM), leading to a decrease in mechanical strength This increases the susceptibility of the ... develop and validate murine cartilage-sparing models of OA to facilitate the use of genetically modified lines and enable molecular analysis of gene expression in the articular cartilage For these ... signalling in the absence of CRABP2 [9,46,47] In aggregate, increased expression of Crabp2 is generally linked to activation of the retinoid pathway either directly, because expression of Crabp2 is regulated...

Ngày tải lên: 09/08/2014, 01:22

... detected the withdrawal of the paw Latency of each paw withdrawal was recorded and mean values of left and right paws were used as reaction index for the individual animal A cut-off of 25 seconds was ... in the hind paw of the mouse is one of the most commonly used models of inflammation and inflammatory pain and it has a biphasic profile [27] Recent studies pointed out important roles for prostaglandins, ... ezrin, radixin, moesin) domain of PTPH1 is necessary for the inhibition of Mek, Erk, Jnk and AP-1 and also for localization of the phosphatase on the plasma membrane of Jurkat T cells [14] These...

Ngày tải lên: 11/08/2014, 03:20

... expression of BRP-39 suggests a crucial role of IL-1 in this phenomenon This provides further evidence that the induction of BRP-39 is closely tied to inflammatory pathways Further investigation of the ... inflammatory process and induction of BRP-39 in a model of smoke exposure, we sought to investigate whether IL-13 was essential for the induction of BRP-39 in models of allergic airway inflammation ... similar expression of BRP-39 in IL-13 KO and WT control mice, inferring a redundant role for IL-13 in the induction of BRP-39 by HDM To determine if IL-1 is equally a critical component of BRP-39 induction...

Ngày tải lên: 12/08/2014, 13:22

... summary of the independent parameters the modified foaming apparatus FOAMING PROPER TIES used far experi- Nature Fixed Diameter Porosity Volume Volume Mass of of sparging disc of sparging disc of ... = Tw Did = = percent of gas initially in 70 ml of foam (gas Flow Rate) - ml/min of nitrogen time to fill the column with foam volume of liquid in the foam initially volume of liquid drained from ... capacity of protein and the stability and strength of the foam Foaming ability i.e Gi denotes the amount of gas retained in the foam reflecting the potential of the protein for foaming The measures of...

Ngày tải lên: 16/12/2012, 15:10

... women in the form of the right to an abortion as an instrument of care-giving not to the fetus, of course, but to others We can see a good example of the use of a traditional model of motherhood ... value, of course, in locating the abortion decision within the framework of women’s traditional roles, and such a portrayal of the abortion decision as part and parcel of women’s traditional role ... Clause of the Fourteenth Amendment of the Constitution prohibits the state from depriving ‘any person of life, liberty, or property without due process of law’ This Due Process right of privacy...

Ngày tải lên: 01/11/2013, 08:20

... disease pathogenesis Familial forms of AD, with an autosomal dominant mode of inheritance, account for < 2% of all AD cases Onset is most often before 65 years of age, and the penetrance is nearly ... [54] A substantial amount of CAA is often found in transgenic mice with the Swedish mutation, which is likely to be because of the high rate of synthesis and accumulation of Ab1-40 In Tg2576, more ... have often been used to study CAA pathogenesis It is most frequent at the adventitial surface of SMC in arteries ⁄ arterioles and is accompanied by degeneration of vascular SMCs, disruption of...

Ngày tải lên: 16/02/2014, 09:20

... pathlength of mm Because of these opposing effects, the fluorescence of the peptide is quenched, and it contributes a smaller proportion of the total fluorescence of the system However, in the presence of ... chains of a folding protein or with the hydrophobic binding site of molecular chaperones such as BiP, PDI and DsbC To further study the mechanism of action of bacitracin, the reduction of insulin ... the rate of aggregation of rhodanese was significantly reduced This is unexpected as inhibition of PDI activity would be expected to increase the rate of aggregation However, the rate of aggregation...

Ngày tải lên: 16/02/2014, 14:20

... applications of the Rudebusch-Wu model illustrate the range of issues that such a macrofinance model can address The first of these is an exploration of the source of the Great Moderation—the period of reduced ... of accuracy, Figure also plots survey-based measures of expectations of CPI inflation, which are obtained from the Blue Chip Consensus survey at the five-year horizon and from the Survey of Professional ... depend on expectations of the macro variables; that is, possible changes in risk premiums are often ignored, and the expectations hypothesis of the term structure is employed Of course, differences...

Ngày tải lên: 17/02/2014, 03:20

... be released from the membrane (data not shown) Role of PKA in the mitochondrial targeting of CYP2E1 The role of PKA in mitochondrial targeting of CYP2E1 was investigated using two approaches ... mitochondria of Su9-DHFR, in which the presequence of ATPase subunit of Neurospora crassa was fused to a passenger protein, DHFR As seen in Fig 5A, the level of mitochondrial targeting of Su9-DHFR, ... localization of intact CYP2E1 in yeast cells Because of the existing ambiguity in the literature on the nature and extent of CYP2E1 import into mitochondria, we first established the relative purity of...

Ngày tải lên: 18/02/2014, 16:20

... analysis of peptides and proteins N D Udeshi et al dimethylation of Arg, monomethylation, dimethylation and trimethylation of Lys, acetylation and ubiquitination of Lys, and phosphorylation of Ser ... pair of fragment ions of type c¢ and z¢Æ Subtraction of the m ⁄ z values for the fragments within a given ion series that differ by a single amino acid affords the mass and thus the identity of ... trap ions by radiofrequency electrostatic fields rather than with static magnetic and electric fields High-quality ECD spectra often require the averaging of data from large numbers of scans acquired...

Ngày tải lên: 18/02/2014, 16:20

... Gevaert et al COFRADIC and protein modifications analysis of purine-binding proteins in a total lysate of human Jurkat T-cells [40] primary separation mAU 1400 COFRADIC analysis of protein processing ... the actual site of proteolytic cleavage, data interpretation and the design of followup analyses are straightforward COFRADIC-based sorting of N-glycosylated peptides Glycosylation of asparagines ... proteomics techniques [72], COFRADIC has a number of unique properties As COFRADIC is essentially a peptide-sorting technology by which only a set of peptides representative of the proteomic problem...

Ngày tải lên: 18/02/2014, 16:20

... of TRAIL such that very little of the full-length form of either protein remained in the IFN-treated cells after h of exposure to TRAIL Thus, the activity of caspase-8, and most likely that of ... only the extent of apoptosis but also the ability of TRAIL to regulate the initiation of translation at the level of eIF2a phosphorylation and 4E-BP1 dephosphorylation Control of protein synthesis ... inducers of apoptosis [2,28,29] In most cases, such inhibition precedes the loss of cell viability and is not simply a consequence of cell death However, the influence of IFNs on the regulation of translation...

Ngày tải lên: 19/02/2014, 06:20

... if they delay the evaluation of the probabilities of the same words and if they have the same number of lexical heads, and if the first two elements of their lists of lexical heads are identical ... the coordination of functor categories In the following derivation, Smith is the subject of resigned and of left: Ë Ð ÆÈ Ë Ð ÒÆÈ Æ Ë Ð ÒÆÈ Ë Ð ÒÆÈ ÓÒ Ë Ð ÆÈ Û The head word of modifiers (such ... The probability of generating word Û, given that its lexical category is and that Û is ¼ ¼ head of the th argument of Û Functor probabilities: È ´Û Û Û ¼ ¼ µ The probability of generating word...

Ngày tải lên: 20/02/2014, 16:20

... examining MR-images of breasts) were asked to estimate the importance of different tumor characteristics in the examination of images of breasts Following this, the performance of visualizing these ... blood vessel supply An important application of this technology includes breast cancer visualization The proof of principle of PA imaging in the detection of breast cancer has been developed by the ... (weight 0.1) X=0 X>0 Years of experience and the average number of MRI’s received a weight of 0.45, where the examination of MRI’s in other areas received a weight of 0.1, because it is expected...

Ngày tải lên: 20/02/2014, 16:20

... 6% of the exposed residues of our Fig Prediction of the interacting surface for the three structural components of the DnaK molecular chaperone system The structures of DnaK N-terminal and C-terminal ... cases of false predictions with high values of reliability index, by comparing with the presently available data base of interacting complexes the accuracy may be biased by the lack of knowledge of ... (c) class is the probability of correct predictions [P(x) in Table 1] P(x) gives the accuracy of the prediction of the x class with respect to the overall amount of total predictions made for...

Ngày tải lên: 21/02/2014, 15:20

... the oligomycin-resistant portion of respiration reflects the level of proton leak of mitochondria, the low level of respiration in the presence of oligomycin of L6 cells showed that they were ... result of overexpression of the recombinant proteins leading to a compromised mitochondrial integrity rather then to an intrinsic property of the proteins This could explain the lack of regulation ... necessary when interpreting the results of a forced overexpression of UCP3 in any host system EXPERIMENTAL PROCEDURES Cloning of hUCP3 cDNA and construction of the adenovirus shuttle plasmid The...

Ngày tải lên: 21/02/2014, 15:20

... consequence of the presence of the same kind of spectrum for 4N complexes of GGH, where the a carbon of the His residue is the sole source of chirality [10] However, while positions of the component ... studies of the Ni(II) complex of HSA [6] Due to different protonation patterns, the stability constants of particular complexes of model peptides cannot be compared directly There are two ways of ... in the middle of the range of values for both Cu(II) and Ni(II) Note that the variation of side chain substituents can result in changes of complex stabilities by up to six orders of magnitude,...

Ngày tải lên: 22/02/2014, 04:20

... for induction of NO production Then, 48 h after the addition of LPS/IFN, the cells were subjected to various assays Nitrite analysis The amount of NO was determined as production of nitrite, because ... Effect of TS on LPS/IFN-induced NO production in VSMC The addition of LPS induced small, but significant NO production, but additions of both LPS and IFN induced detectably high levels of NO in ... VSMC As shown in Fig 2A, approximately 20 lM of NO was produced by 10 lgÆmL)1 of LPS and 100 UÆmL)1 of IFN Under these conditions, detectable induction of iNOS protein was observed by Western blotting...

Ngày tải lên: 22/02/2014, 04:20