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2001 (1)
1993 (1)
1Author    C. Christov, S. Gabriel3, B. Atanasov, J. Fleischhauer3Requires cookie*
 Title    Calculation of the CD Spectrum of Class A /3-Lactamase from Escherichia coli (TEM-1)  
 Abstract    The Circular Dichroism (CD) spectrum o f /3-lactamase from Escherichia coli (TEM-1) has been calculated with the matrix method on the basis of the x-ray diffraction structure. All known transitions in the peptide and side-chain groups, especially the aromatic and disulfide groups have been included. The calculations were performed with and without the tryptophan (Trp) residues. Rotational strengths calculated with the matrix method were combined with Gaussians to generate the CD spectrum. The calculated spectrum reproduces the signs and approximate magnitudes of the CD bands rather w ell only when the trytophan side chains are included. However, the experimental negative double band at 208 and 222 nm, which is characteristic for a-helices, is absent in the calculated spectrum. 
  Reference    Z. Naturforsch. 56a, 757 (2001); received September 12 2001 
  Published    2001 
  Keywords    /3-Lactamase, CD-spectrum, Matrix Method 
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 TEI-XML for    default:Reihe_A/56/ZNA-2001-56a-0757.pdf 
 Identifier    ZNA-2001-56a-0757 
 Volume    56 
2Author    LuisE. Bilbao, DianaE. GrondonaRequires cookie*
 Title    Inversion of First Kind Volterra Equations: Back to Direct Methods?  
 Abstract    Numerical inversion of the first kind Volterra equation (the Abel inversion included) has been extensively studied. Direct methods were probably the first methods used to attempt the inversion. Together with the computer hardware evolution, new methods were devised in order to deal with the inherent problem of this kind of equation, that is, error magnification. Using a large number of data points (several thousands) most methods are difficult to use, specially when the inversion and its error are required on line, that is, while performing the experiments. Further, error propagation (coming from the input data and from the parameters of the problem) is, usually, a difficult task and has not been extensively studied. On the other hand, direct methods together with an adequate filter give good resolution, are fast, and error propagation is easily performed. In this work we used the so called Matrix Method for inverting three different equations, showing how to build the resolvent nucleus and how errors propagate through the solution. 
  Reference    Z. Naturforsch. 48a, 1119—1130 (1993); received June 25 1993 
  Published    1993 
  Keywords    First kind Volterra equations, Abel equation, Direct method, Matrix method, Error propagation 
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 TEI-XML for    default:Reihe_A/48/ZNA-1993-48a-1119.pdf 
 Identifier    ZNA-1993-48a-1119 
 Volume    48