id author title date pages extension mime words sentence flesch summary cache txt 73666398x1n Taylor R. Quinn Microsecond Simulations of the PmHMGR Second Hydride Transfer Transition State and Investigations into Molecule and Enzyme Dynamics 2020 .txt text/plain 282 11 41 In this thesis, I will primarily discuss how molecular dynamics simulations of the transition state of PmHMGR compared to ground state simulations facilitated the prediction of allosteric residues that help stabilize the transition state of the enzyme. Molecular dynamics was used to help drug discovery efforts for the epigenetic HDAC and P300/CBP systems, which, in the case of the latter, shed light on the role of protein dynamics on the ligand-protein and protein-protein interface. cache/73666398x1n.txt txt/73666398x1n.txt