Browsing by Subject "cancer, gemcitabine, Molecular Dynamics simulations, MOF, GROMACS, drug"
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Metal-Organic Frameworks as drug delivery systems: The case of IRMOF-74-III and gemcitabine studied by MD simulations
(BRFAA, 2017-04-27)A multiscale computational study is reported that investigates the microscopic behavior of the anti-cancer drug gemcitabine (GEM) stored in metal organic frameworks IRMOF-74-III and the functionalized OH-IRMOF-74-III. ...