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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Bibliographic Details
Main Author: Wu, Pan
Other Authors: Yang, Weitao
Published: 2013
Subjects:
Online Access:http://hdl.handle.net/10161/8071