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High performance computing has become a major focus of attention by government, industry, medical centers and academic institutions. The U.S. government has made this a ldquotop national priorityrdquo, linking the development of a ldquodata superhighway systemrdquo to national competitiveness and national research interest. High performance supercomputing approaches have been used for sequence analysis,...
Explorations of the conformational space of the ionophore lasalocid using a Monte-Carlo procedure, allowed the classification of the ionophore conformations into groups that differ in their hydrogen bonding systems. Semiempirical quantum calculations AM1 support these results, particularly those concerning the chelation systems. This conformational study was extended by some experiments involving...
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