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Chemicals and Drugs

Western University

2012

Molecular dynamics simulation

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Experimental And Computational Analysis Of The Structure And Dynamics Of Intrinsically Disordered Proteins, Elio Anthony Cino Nov 2012

Experimental And Computational Analysis Of The Structure And Dynamics Of Intrinsically Disordered Proteins, Elio Anthony Cino

Electronic Thesis and Dissertation Repository

Intrinsically disordered proteins (IDPs) are abundant in cells and have central roles in

protein-protein interaction networks. Many are involved in cancer, aging and

neurodegenerative diseases. The structure and dynamics of IDPs is intimately related to their

interactions with binding partners. Because IDPs are inherently flexible and do not have a

single conformation, conventional methods and conditions for determining structure and

dynamics of globular proteins may not be directly applicable. Nuclear magnetic resonance

(NMR) spectroscopy is one of the primary techniques characterizing the structures and

dynamics of IDPs, but one cannot rely solely on NMR data. A primary aim of this …