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Filtering procedure

In order to compare predicted and observed transmembrane helices automatic extraction of observed transmembrane segments with probable helical conformation is also [Pg.412]

In the case if length of putative TMH remains equal or greater than 24 FILTER subroutine is applied. It shortens TMH on both ends until helix preference becomes too high. Helical preference is multiplied with number of residues reached from the cap residue position and resulting value compared with (TMH length -21)/2. The FILTER creates new helix cap positions closer to the middle of TMH. The shift in the new cap positions is greater for lower helical preference and for longer TMH. [Pg.413]

After ending the main filter routine the T conformation is assigned to four residues next to each predicted helix cap. Also peaks in helix preference higher than 4.0 are examined for the whole sequence. Additional (overlooked) TMH is assigned as 15 residue segment centered around such peak if a) less than three of K, P, D, R, E residues are present in such a segment, if b) such segment is at least 20 residues removed from sequence terminals, and if c) TMH was not previously predicted in that position. [Pg.413]

The SPLIT algorithm was optimized for predicting transmembrane a-helices by using the Kyte-Doolittle hydropathy scale to create profile of a-helix preferences. The digital version of prediction for transmembrane a-helices is designated as the TMH predictor. Predicted profile of P-strand preferences can be used to find sequence location of potential membrane-embedded or surface-attached P-strands. The score for potential membrane-attached P-strand [Pg.413]


In fig. 2 an ideal profile across a pipe is simulated. The unsharpness of the exposure rounds the edges. To detect these edges normally a differentiation is used. Edges are extrema in the second derivative. But a twofold numerical differentiation reduces the signal to noise ratio (SNR) of experimental data considerably. To avoid this a special filter procedure is used as known from Computerised Tomography (CT) /4/. This filter based on Fast Fourier transforms (1 dimensional FFT s) calculates a function like a second derivative based on the first derivative of the profile P (r) ... [Pg.519]

Screening techniques can be understood as to be filtering procedures of samples. The principle of screening consists in giving an overview on constituents in certain samples, namely ... [Pg.111]

A general approach to limiting the space of virtual libraries of combinatorial reaction products consists of implementation of a series of special filtering procedures. [Pg.305]

Some of the linear combinations will be well defined and others poorly defined. The latter may be eliminated in a filtering procedure, referred to in the literature under the names characteristic value filtering, eigenvalue filtering, and principal component analysis. If the parameter set is not homogeneous, but includes different types, relative scaling is important. Watkin (1994) recommends that the unit be scaled such that similar shifts in all parameters lead to similar changes in the error function S. [Pg.79]

Diamond (1966) has applied a filtering procedure in the refinement of protein structures, in which poorly determined linear combinations are not varied. In charge density analysis, the principal component analysis has been tested in a refinement of theoretical structure factors on diborane, B2H6, with a formalism including both one-center and two-center overlap terms (Jones et al. 1972). Not unexpectedly, it was found that the sum of the populations of the 2s and spherically averaged 2p shells on the boron atoms constitutes a well-determined eigenparameter, while the difference is very poorly determined. Correlation between one- and two-center terms was also evident in the analysis. [Pg.79]

This may cause severe problons with differentiating noisy signals, the high frequency components of the nobe are amplified. In practice, differentiation has to be combined with a smoothing (low pass filtering) procedure. [Pg.74]

The checkers found that maximum yields of product were obtained when cooling was carried to the point where crystallization of the solvent commenced. The trace of crystalline solvent quickly melts during the filtering procedure. [Pg.13]

Fig. 6. Elimination of Ka3 4-satellites in the C lr-spectrum of paraffin. The raw data in Fig. 6 A are transformed with the help of the Fourier transform filtering procedure into the satellite-free spectrum in Fig. 6 B. For details see example in Fig. 7... Fig. 6. Elimination of Ka3 4-satellites in the C lr-spectrum of paraffin. The raw data in Fig. 6 A are transformed with the help of the Fourier transform filtering procedure into the satellite-free spectrum in Fig. 6 B. For details see example in Fig. 7...
Figure 2.6 NMR spectra obtained under LC-NMR conditions (a) an unsuppressed spectrum showing acetonitrile ( 2.0ppm), methanol-CIT ( 3.3 ppm) and -OH signals ( 4.2 ppm) (b) the corresponding ID proton spectrum acquired with (WET) solvent suppression (on the three solvent lines a digital solvent filtering procedure was also applied). The sample used was 140 xg of cortisone in a acetonitrile/methanol/D20 (5 5 1) solvent mixture... Figure 2.6 NMR spectra obtained under LC-NMR conditions (a) an unsuppressed spectrum showing acetonitrile ( 2.0ppm), methanol-CIT ( 3.3 ppm) and -OH signals ( 4.2 ppm) (b) the corresponding ID proton spectrum acquired with (WET) solvent suppression (on the three solvent lines a digital solvent filtering procedure was also applied). The sample used was 140 xg of cortisone in a acetonitrile/methanol/D20 (5 5 1) solvent mixture...
Analog-filtering procedure was applied, based on the molecular physicochemical descriptors and optimum property ranges calculated for the set of known HIV PR inhibitors (Table 4.1), which permitted the selection of 100 most diverse cyclic urea analogs with suitable molecular properties. [Pg.69]

The framework and the basic equations for the EE description are first recalled in Section 10.1. The LES filtering procedure for these equations is described in Section 10.1 along with the closure assumptions and models for subgrid terms, including turbulent combustion. The application is a sector of a gas turbine burner for which both the steady flow and an ignition sequence using a spark discharge are computed in Sections 10.2 and 10.2... [Pg.269]

In 1946, a maximum permissible concentration was added for hexavalent chromium. The use of the salts of barium, hexavalent chromium, heavy metal glucosides, and other substances were prohibited in water treatment processes. In addition, the 1946 standards authorized the use of the membrane filter procedure for bacteriological examination of water samples. [Pg.40]

The leach liquor containing the dissolved metal values is separated from the residue containing iron oxide and other insolubles by thickeners and disc filters. All soluble nickel from the leach residue is recovered by careful washing, repulping, and filtering procedures before being discarded to... [Pg.91]

Active and inactive traces elements Modified paper chromatographic round filter procedure — 10 336)... [Pg.195]

Suppression of multiple peaks with different filtering functions can readily be achieved by employing the frequency-shifted filters [69]. Alternatively, the filtering procedure can be applied several times proceeded by frequency shifting of the time-domain data. [Pg.16]

Figures 11-13 depict the resolution of some binary and ternary lead and chromium compounds mixtures, as a further evidence of the reliability of the iterative combined simulated annealing-Kalman filtering procedure for the quantification of the shifted spectra. The mean errors were about 4% for binary mixtures and larger, about 10%, for ternary mixtures. This error was still acceptable considering the complexity of the unresolved ternary... Figures 11-13 depict the resolution of some binary and ternary lead and chromium compounds mixtures, as a further evidence of the reliability of the iterative combined simulated annealing-Kalman filtering procedure for the quantification of the shifted spectra. The mean errors were about 4% for binary mixtures and larger, about 10%, for ternary mixtures. This error was still acceptable considering the complexity of the unresolved ternary...

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