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Modulation Of Protein Dynamics By Ligand Binding And Solvent Composition, Richard J. Lindsay
Modulation Of Protein Dynamics By Ligand Binding And Solvent Composition, Richard J. Lindsay
Doctoral Dissertations
Many proteins undergo conformational switching in order to perform their cellular functions. A multitude of factors may shift the energy landscape and alter protein dynamics with varying effects on the conformations they explore. We apply atomistic molecular dynamics simulations to a variety of biomolecular systems in order to investigate how factors such as pressure, the chemical environment, and ligand binding at distant binding pockets affect the structure and dynamics of these protein systems. Further, we examine how such changes should be characterized. We first investigate how pressure and solvent modulate ligand access to the active site of a bacterial lipase …