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Mathematics  2005 

Modelling the Biomacromolecular Structure with Selected Combinatorial Optimization Techniques

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Abstract:

Modern approaches to the search of Relative and Global minima of potential energy function of Biomacromolecular structures include techniques of combinatorial optimization like the study of Steiner Points and Steiner Trees. These methods have been successfully applied to the problem of modelling the configurations of the average atomic positions when they are disposed in the usual sequence of evenly spaced points along right circular helices. In the present contribution, we intend to show how these methods can be adapted for explaining the advantages of introducing the concept of a Steiner Ratio Function (SRF). We also show how this new concept is adequate for fitting the results obtained by computing experiments and for providing an improvement to these results if we use the restriction of working with Full Steiner Trees.

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