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Full-Text Articles in Life Sciences

Compound Identification Using Penalized Linear Regression., Ruiqi Liu May 2013

Compound Identification Using Penalized Linear Regression., Ruiqi Liu

Electronic Theses and Dissertations

In this study, we propose a new method for compound identification using penalized linear regression. Compound identification is often achieved by matching the experimental mass spectra to the mass spectra stored in a reference library based on mass spectral similarity. In the context of the linear regression, the response variable is an experimental mass spectrum (i.e., query) and all the compounds in the reference library are the independent variables. However, the number of compounds in the reference library is much larger than the range of m/z values so that the data become high dimensional data with suffering from ...


Protein Kinases: Structure Modeling, Inhibition, And Protein-Protein Interactions, Khaled M. Elokely Jan 2013

Protein Kinases: Structure Modeling, Inhibition, And Protein-Protein Interactions, Khaled M. Elokely

Electronic Theses and Dissertations

Human protein kinases belong to a large and diverse enzyme family that contains more than 500 members. Deregulation of protein kinases is associated with many disorders, and this is why protein kinases are attractive targets for drug discovery. Due to the high conservation of the ATP binding pocket among this family, designing specific and/or selective inhibitors against certain member(s) is challenging. Several studies have been conducted on protein kinases to validate them as suitable drug targets. Although there are numerous target-validated protein kinases, the efforts to develop small molecule inhibitors have so far led to only a limited ...