Exploring the Wavelet Transform in Molecular Dynamics Simulations
Mateus Aquino Gonçalves
Broschiertes Buch

Exploring the Wavelet Transform in Molecular Dynamics Simulations

An application in computational chemistry

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The cancer is one of the biggest causes of death in the world, having as great difficulty the diagnosis in its initial phase. Among the techniques used in the cancer diagnosis, we can highlight the Magnetic Resonance Imaging (MRI). The MRI is an effective diagnostic method, which by means of the use of contrast agents (CAs) is able to locate tumors of various natures. The most used CAs are the Gd3+ complexes, although they are very effective and very toxic to the organism. Thus, new CAs are being studied to replace the Gd3+ complexes, among them superparamagnetic iron oxide nanoparticles (SPIO...