Combined Knowledge And Physics Based Approaches Towards Predicting Protein Structures

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...

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Main Author:	Khairudin , Nurul Bahiyah Ahmad
Format:	Thesis
Language:	English
Published:	2009
Subjects:	RS1-441 Pharmacy and materia medica
Online Access:	http://eprints.usm.my/41798/1/Nurul_Bahiyah_Ahmad_Khairudin24.pdf
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id	my-usm-ep.41798
record_format	uketd_dc
spelling	my-usm-ep.417982019-04-12T05:26:59Z Combined Knowledge And Physics Based Approaches Towards Predicting Protein Structures 2009-12 Khairudin , Nurul Bahiyah Ahmad RS1-441 Pharmacy and materia medica 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 2009-12 Thesis http://eprints.usm.my/41798/ http://eprints.usm.my/41798/1/Nurul_Bahiyah_Ahmad_Khairudin24.pdf application/pdf en public phd doctoral Universiti Sains Malaysia Pusat Pengajian Sains Farmasi
institution	Universiti Sains Malaysia
collection	USM Institutional Repository
language	English
topic	RS1-441 Pharmacy and materia medica
spellingShingle	RS1-441 Pharmacy and materia medica Khairudin , Nurul Bahiyah Ahmad Combined Knowledge And Physics Based Approaches Towards Predicting Protein Structures
description	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
format	Thesis
qualification_name	Doctor of Philosophy (PhD.)
qualification_level	Doctorate
author	Khairudin , Nurul Bahiyah Ahmad
author_facet	Khairudin , Nurul Bahiyah Ahmad
author_sort	Khairudin , Nurul Bahiyah Ahmad
title	Combined Knowledge And Physics Based Approaches Towards Predicting Protein Structures
title_short	Combined Knowledge And Physics Based Approaches Towards Predicting Protein Structures
title_full	Combined Knowledge And Physics Based Approaches Towards Predicting Protein Structures
title_fullStr	Combined Knowledge And Physics Based Approaches Towards Predicting Protein Structures
title_full_unstemmed	Combined Knowledge And Physics Based Approaches Towards Predicting Protein Structures
title_sort	combined knowledge and physics based approaches towards predicting protein structures
granting_institution	Universiti Sains Malaysia
granting_department	Pusat Pengajian Sains Farmasi
publishDate	2009
url	http://eprints.usm.my/41798/1/Nurul_Bahiyah_Ahmad_Khairudin24.pdf
_version_	1747820972010897408

Combined Knowledge And Physics Based Approaches Towards Predicting Protein Structures

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