Abstract-An improved meshless method is presented with an emphasis on the detailed description of this new computational technique and its numerical implementations by investigating the usefulness of a commonly neglected parameter in this paper. Two approaches to enforce essential boundary conditions are also thoroughly investigated. Numerical tests on a mathematical function is carried out as a means of validating the proposed method. It will be seen that the proposed method is more robust than the conventional ones. Applications in solving electromagnetic problems are also presented.Index Terms-Lagrange multiplier method, least squares method, meshless method, moving-least square approximants.
To enhance the global search ability of population based incremental learning (PBIL) methods, it is proposed that multiple probability vectors are to be included on available PBIL algorithms. The strategy for updating those probability vectors and the negative learning and mutation operators are thus redefined correspondingly. Moreover, to strike the best tradeoff between exploration and exploitation searches, an adaptive updating strategy for the learning rate is designed. Numerical examples are reported to demonstrate the pros and cons of the newly implemented algorithm. Index Terms-Genetic algorithm (GA), global optimization, inverse problem, population based incremental learning (PBIL) method.
BackgroundThe functional and structural characterisation of enzymes that belong to microbial metabolic pathways is very important for structure-based drug design. The main interest in studying shikimate pathway enzymes involves the fact that they are essential for bacteria but do not occur in humans, making them selective targets for design of drugs that do not directly impact humans.DescriptionThe ShiKimate Pathway DataBase (SKPDB) is a relational database applied to the study of shikimate pathway enzymes in microorganisms and plants. The current database is updated regularly with the addition of new data; there are currently 8902 enzymes of the shikimate pathway from different sources. The database contains extensive information on each enzyme, including detailed descriptions about sequence, references, and structural and functional studies. All files (primary sequence, atomic coordinates and quality scores) are available for downloading. The modeled structures can be viewed using the Jmol program.ConclusionsThe SKPDB provides a large number of structural models to be used in docking simulations, virtual screening initiatives and drug design. It is freely accessible at http://lsbzix.rc.unesp.br/skpdb/.
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