Topology applications

J. J. Generation of ligand conformations in continuum solvent consistent with protein active site topology application to thrombin. J. Med. Chem. 2003, 46, 1293-1305. 

Bonchev, D. Rouvray, D. H., Ed., Chemical Topology Applications and Techniques. Gordon and Breach, Amsterdam, 2000. 

Even with ring topology applications, the majority, if not all nodes, must be present and... 

Through the application of the GA to the topological autocorrelation vector, the descriptor could be reduced from 136 to nine descriptors and the quality of projection was increased by 9.4%. Thus, besides the improvement in efficiency, an improvement in quality could be obtained. 

B and W J Howe 1991. Computer Design of Bioactive Molecules - A Method for Receptor-Based Novo Ligand Design. Proteins Structure, Function and Genetics 11 314-328. i H L 1965. The Generation of a Unique Machine Description for Chemical Structures - A hnique Developed at Chemical Abstracts Service. Journal of Chemical Documentation 5 107-113. J 1995. Computer-aided Estimation of Symthetic Accessibility. PhD thesis. University of Leeds, itan R, N Bauman, J S Dixon and R Venkataraghavan 1987. Topological Torsion A New )lecular Descriptor for SAR Applications. Comparison with Other Descriptors. Journal of emical Information and Computer Science 27 82-85. 

V DiErancesco, J Garnier, PJ Munson. Protein topology recognition from secondary structure sequences Application of the hidden Markov models to the alpha class proteins. J Mol Biol 267 446-463, 1997. 

Most of the 2D QSAR methods are based on graph theoretic indices, which have been extensively studied by Randic [29] and Kier and Hall [30,31]. Although these structural indices represent different aspects of molecular structures, their physicochemical meaning is unclear. Successful applications of these topological indices combined with multiple linear regression (MLR) analysis are summarized in Ref. 31. On the other hand, parameters derived from various experiments through chemometric methods have also been used in the study of peptide QSAR, where partial least square (PLS) [32] analysis has been employed [33]. 

OM Becker, M Karplus. The topology of multidimensional potential energy surfaces Theory and application to peptide stiaicture and kinetics. I Chem Phys 106 1495-1517, 1997. 

Select the appropriate technology and topology for your application. 

The nontransformer isolated topologies are used for board-level converters. These are in distributed power systems where an intermediate bus voltage is distributed throughout the system and each board within the system has its own power supplies. The bus voltage is always a safe level that is not deemed lethal to the operator of the equipment, therefore dielectric isolation is optional. I still heartily recommend transformer isolation in most applications. The added cost... 

Each topology has predictable voltage and current stresses for the power switches and rectifiers. These estimates have about a 90 percent confidence factor. Selecting the power devices at this stage in the design cycle can save precious time later in the program by not having to wait for parts. Table 3-2 contains equations that may be conservative in nature, but will work in the application. 

Smith, C.S. (1952, 1981) Grain shapes and other metallurgical applications of topology, in Metal Interfaces, ASM Seminar Report (American Society for Metals, Cleveland) p. 65. Grain shapes and other metallurgical applications of topology, in A Search for Structure, ed. Smith, C.S. (MIT Press, Cambridge, MA) p. 3. 

Cocyclic vicinal exendo bonds, especially in centrally-located rings may be selected for topologically strategic disconnection. Structures 124 and 125 are provided for illustration. One reason for the effectiveness of such disconnections is that it can signal the application of various annulation transforms. The broken bonds may involve heteroatoms such as N, O and S. 

At the opposite end of the topological spectrum are stereocenters in terminal rings that are eligible for disconnection. Stereocenters in such rings which are elements of a retron or partial retron for a ring disconnective transform should be cleared preferentially by application of that transform. Examples 156, 157 and 158 illustrate such stereocenters (starred). 

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