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Abbas Yousefpour, Sepideh Amjad Iranagh, Yousef Nademi and Hamid Modarress Molecular dynamics simulation of nonsteroidal antiinflammatory drugs, naproxen and relafen, in a lipid bilayer membrane International Journal of Quantum Chemistry 113

Article first published online: 22 FEB 2013 | DOI: 10.1002/qua.24415

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Nonsteoridal antiinflammatory drugs, such as naproxen and relafen, are commonly prescribed in a variety of pathologies. This article studies relafen and its mixture with naproxen, which is compared to naproxen in charged and neutral forms. The effect of level of these drugs' dosage on their diffusion coefficients, electrostatic potentials, hydrogen bond formations, order parameters, mass densities, and radial distribution functions are studied. It is found that a maximal diffusion coefficient must exist at some intermediate levels of dosage.

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