The range of conformational states that determine the function of a protein is often unknown. This is the case for most proteins. In particular, for membrane proteins, this is more challenging, as their structures are often difficult to resolve. At present, the computational pre…
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This thesis contains three main sections. In the first section, we examine methodologies to discriminate Type II protein kinase inhibitors from the Type I inhibitors. We have studied the structure of 55 Type II kinase inhibitors and have notice specific descriptive geometric fea…