Quantum Mechanics/Molecular Mechanics Studies in Biological Systems
<p>This thesis contains four projects in Quantum Mechanics/Molecular Mechanics (QM/MM) applications and methodology developments for biological systems. The first part (chapter 2 - chapter 3) is mainly focused on enzymatic reaction mechanism studies; the second part (chapter 4 - chapter 5) is...
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2013
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| Online Access: | http://hdl.handle.net/10161/8071 |