Combined Knowledge And Physics Based Approaches Towards Predicting Protein Structures

Khairudin , Nurul Bahiyah Ahmad (2009) Combined Knowledge And Physics Based Approaches Towards Predicting Protein Structures. PhD thesis, Universiti Sains Malaysia.

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Proteins are the building block of life. Knowledge of the three dimensional structure of proteins is of fundamental importance in understanding protein function. In this study, a new computational method was developed to predict these structures by combining the knowledge-based homology modeling and the physics-based molecular dynamics simulation methods. The core region of the protein wasinitially constructed via homology modeling based on sequence similarity with other solved protein templates. Then, the remaining end-terminal regions were allowed to fold towards the core region via MD simulation a few residues at a time. The method was categorized into three parts; the development of the core region of the protein, the development of the complete protein structure and the MD refinement simulation

Item Type: Thesis (PhD)
Subjects: R Medicine > RS Pharmacy and materia medica > RS1-441 Pharmacy and materia medica
Divisions: Pusat Pengajian Sains Farmasi (School of Pharmacy) > Thesis
Depositing User: Mr Mohammad Harish Sabri
Date Deposited: 07 Sep 2018 03:17
Last Modified: 12 Apr 2019 05:26

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