Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/41441
Title: Protein modeling, ligand-protein docking, and visualization
Authors: Lu, Bai Fang.
Keywords: DRNTU::Engineering::Mechanical engineering
Issue Date: 2008
Source: Lu, B. F. (2008). Protein modeling, ligand-protein docking, and visualization. Doctoral thesis, Nanyang Technological University, Singapore.
Abstract: With more and more protein structures being identified, as well as rapid developments in the pharmaceutical industry, computational biology is increasingly playing 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.
URI: http://hdl.handle.net/10356/41441
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:MAE Theses

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