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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| Format: | Thesis |
| Language: | English |
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2009
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| Online Access: | http://eprints.usm.my/41798/ http://eprints.usm.my/41798/1/Nurul_Bahiyah_Ahmad_Khairudin24.pdf |
| _version_ | 1848879386267222016 |
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| author | Khairudin , Nurul Bahiyah Ahmad |
| author_facet | Khairudin , Nurul Bahiyah Ahmad |
| author_sort | Khairudin , Nurul Bahiyah Ahmad |
| building | USM Institutional Repository |
| collection | Online Access |
| 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 |
| first_indexed | 2025-11-15T17:46:24Z |
| format | Thesis |
| id | usm-41798 |
| institution | Universiti Sains Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T17:46:24Z |
| publishDate | 2009 |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | usm-417982019-04-12T05:26:59Z 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/ http://eprints.usm.my/41798/1/Nurul_Bahiyah_Ahmad_Khairudin24.pdf |