Ovanes G. Mekenyan

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An improvement in the algorithm for assigning vertex(es) as graph center(s) is achieved on the basis of the distances between vertexes and between edges, as well as proceeding from the vertex-edge incidence. The iterative vertex and edge centricities (IVEC) algorithm produces assignments that are in better agreement with the intuitive notion of graph center(More)
A new approach for coverage of the conformational space by a limited number of conformers is proposed. Instead of using a systematic search whose time complexity increases exponentially with degrees of freedom, a genetic algorithm (GA) is employed to minimize 3D similarity among the conformers generated. This makes the problem computationally feasible even(More)
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