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:en
Published: 2009
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Online Access:http://eprints.usm.my/41798/1/Nurul_Bahiyah_Ahmad_Khairudin24.pdf
http://eprints.usm.my/41798/
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author Khairudin , Nurul Bahiyah Ahmad
author_facet Khairudin , Nurul Bahiyah Ahmad
author_sort Khairudin , Nurul Bahiyah Ahmad
building Hamzah Sendut Library
collection Institutional Repository
content_provider Universiti Sains Malaysia
content_source USM Institutional Repository
continent Asia
country Malaysia
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
id my.usm.eprints.41798
institution Universiti Sains Malaysia
language en
publishDate 2009
record_format eprints
spelling my.usm.eprints.41798 http://eprints.usm.my/41798/ Combined Knowledge And Physics Based Approaches Towards Predicting Protein Structures 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 NonPeerReviewed application/pdf en http://eprints.usm.my/41798/1/Nurul_Bahiyah_Ahmad_Khairudin24.pdf Khairudin , Nurul Bahiyah Ahmad (2009) Combined Knowledge And Physics Based Approaches Towards Predicting Protein Structures. PhD thesis, Universiti Sains Malaysia.
spellingShingle RS1-441 Pharmacy and materia medica
Khairudin , Nurul Bahiyah Ahmad
Combined Knowledge And Physics Based Approaches Towards Predicting Protein Structures
title 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_short Combined Knowledge And Physics Based Approaches Towards Predicting Protein Structures
title_sort combined knowledge and physics based approaches towards predicting protein structures
topic RS1-441 Pharmacy and materia medica
url http://eprints.usm.my/41798/1/Nurul_Bahiyah_Ahmad_Khairudin24.pdf
http://eprints.usm.my/41798/
url_provider http://eprints.usm.my/