Protein modeling, ligand-protein docking, and visualization
With more and more protein structures being identified, as well as rapid developments in the pharmaceutical industry, computational biology is increasinglyplaying a vital role in biological data retrieval, analysis, and visualization. Cost-effective approaches to identify the docking potential betwe...
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| Other Authors: | |
| Format: | Thesis |
| Language: | English |
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2010
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| Online Access: | https://hdl.handle.net/10356/41441 |
| _version_ | 1826179039061082112 |
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| author | Lu, Bai Fang |
| author2 | Cai Yiyu |
| author_facet | Cai Yiyu Lu, Bai Fang |
| author_sort | Lu, Bai Fang |
| collection | NTU |
| description | With more and more protein structures being identified, as well as rapid developments in the pharmaceutical industry, computational biology is increasinglyplaying a vital role in biological data retrieval, analysis, and visualization. Cost-effective approaches to identify the docking potential between proteins and ligands are highly desirable. Successful docking of ligands and proteins is the goal in a virtual screening process. The docking methods involve system representation, conformational searching and matching, and ranking mechanisms. Docking algorithms are typically very time consuming. But in the early stages of drug discovery, there is generally a need for a massive virtual screening process to identify potential drug candidates or pharmacophores. This motivates us to develop a ligand-protein docking algorithm with emphasis on high performance. |
| first_indexed | 2024-10-01T04:31:50Z |
| format | Thesis |
| id | ntu-10356/41441 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T04:31:50Z |
| publishDate | 2010 |
| record_format | dspace |
| spelling | ntu-10356/414412023-03-11T17:10:13Z Protein modeling, ligand-protein docking, and visualization Lu, Bai Fang Cai Yiyu School of Mechanical and Aerospace Engineering DRNTU::Engineering::Mechanical engineering With more and more protein structures being identified, as well as rapid developments in the pharmaceutical industry, computational biology is increasinglyplaying a vital role in biological data retrieval, analysis, and visualization. Cost-effective approaches to identify the docking potential between proteins and ligands are highly desirable. Successful docking of ligands and proteins is the goal in a virtual screening process. The docking methods involve system representation, conformational searching and matching, and ranking mechanisms. Docking algorithms are typically very time consuming. But in the early stages of drug discovery, there is generally a need for a massive virtual screening process to identify potential drug candidates or pharmacophores. This motivates us to develop a ligand-protein docking algorithm with emphasis on high performance. DOCTOR OF PHILOSOPHY (MAE) 2010-07-05T04:29:10Z 2010-07-05T04:29:10Z 2008 2008 Thesis Lu, B. F. (2008). Protein modeling, ligand-protein docking, and visualization. Doctoral thesis, Nanyang Technological University, Singapore. https://hdl.handle.net/10356/41441 10.32657/10356/41441 en 153 p. application/pdf |
| spellingShingle | DRNTU::Engineering::Mechanical engineering Lu, Bai Fang Protein modeling, ligand-protein docking, and visualization |
| title | Protein modeling, ligand-protein docking, and visualization |
| title_full | Protein modeling, ligand-protein docking, and visualization |
| title_fullStr | Protein modeling, ligand-protein docking, and visualization |
| title_full_unstemmed | Protein modeling, ligand-protein docking, and visualization |
| title_short | Protein modeling, ligand-protein docking, and visualization |
| title_sort | protein modeling ligand protein docking and visualization |
| topic | DRNTU::Engineering::Mechanical engineering |
| url | https://hdl.handle.net/10356/41441 |
| work_keys_str_mv | AT lubaifang proteinmodelingligandproteindockingandvisualization |