Understanding structural features of biomolecular interactions : from classical simulations to ab initio calculations

The structures of biomolecules and their interactions dictate their functions. In this thesis, five papers are presented to illustrate how the dynamics of biomolecules can be investigated and derivation of desired thermodynamic quantities obtained by utilising a diverse range of computational...

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Bibliographic Details
Main Author: Hartono, Yossa Dwi
Other Authors: Alessandra Villa
Format: Theses and Dissertations
Language:English
Published: 2017
Subjects:
Online Access:http://hdl.handle.net/10356/72892
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Institution: Nanyang Technological University
Language: English