Browsing Chemistry (Theses and Dissertations) by Subject "Density Functional Theory"
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Computational Modelling, Synthesis and Biological Evaluation of Guanidinium-like Derivatives as Protein Kinase Inhibitors for the Treatment of Cancer (Trinity College Dublin. School of Chemistry. Discipline of Chemistry, 2018)Kinases have emerged as one of the most intensively pursued targets in current medicinal chemistry research, and to date, the FDA has approved 31 small molecule kinase inhibitors (SMKI), with several therapeutic applications, ...