Tse, Ching Man. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2011. / Includes bibliographical references (p. 188-200). / Abstracts in English and Chinese. / Abstract --- p.i / Acknowledgement --- p.vi / Chapter 1 --- Introduction --- p.1 / Chapter 1.1 --- Obtain information on drug targets --- p.3 / Chapter 1.2 --- Drug Design --- p.5 / Chapter 1.3 --- Interface for interaction --- p.9 / Chapter 1.4 --- Summary --- p.10 / Chapter 2 --- Background Study --- p.12 / Chapter 2.1 --- Protein Function Prediction --- p.16 / Chapter 2.2 --- Drug Design --- p.37 / Chapter 2.3 --- Visualisation and Interaction in Biomedic --- p.44 / Chapter 3 --- Overview --- p.48 / Chapter 3.1 --- Protein prediction using secondary structure analysis --- p.52 / Chapter 3.2 --- Knowledge-driven ligand design --- p.55 / Chapter 3.3 --- Interactive interface in virtual reality --- p.57 / Chapter 4 --- Protein Function Prediction --- p.60 / Chapter 4.1 --- Introduction --- p.61 / Chapter 4.1.1 --- Motivation --- p.61 / Chapter 4.1.2 --- Objective --- p.62 / Chapter 4.1.3 --- Overview --- p.63 / Chapter 4.2 --- Methods and Design --- p.66 / Chapter 4.2.1 --- Feature Cell --- p.68 / Chapter 4.2.2 --- Heterogeneous Vector --- p.71 / Chapter 4.2.3 --- Feature Cell Similarity --- p.75 / Chapter 4.2.4 --- Heterogeneous Vector Similarity --- p.79 / Chapter 4.3 --- Experiments --- p.85 / Chapter 4.3.1 --- Data Preparation --- p.85 / Chapter 4.3.2 --- Experimental Methods --- p.87 / Chapter 4.4 --- Results --- p.97 / Chapter 4.4.1 --- Scalability --- p.97 / Chapter 4.4.2 --- Cluster Quality --- p.99 / Chapter 4.4.3 --- Classification Quality --- p.102 / Chapter 4.5 --- Discussion --- p.103 / Chapter 4.6 --- Conclusion --- p.104 / Chapter 5 --- Drug Design --- p.106 / Chapter 5.1 --- Introduction --- p.107 / Chapter 5.1.1 --- Motivation --- p.107 / Chapter 5.1.2 --- Objective --- p.109 / Chapter 5.1.3 --- Overview --- p.109 / Chapter 5.2 --- Methods --- p.111 / Chapter 5.2.1 --- Fragment Joining --- p.115 / Chapter 5.2.2 --- Genetic Operators --- p.116 / Chapter 5.2.3 --- Post-Processing --- p.124 / Chapter 5.3 --- Experiments --- p.128 / Chapter 5.3.1 --- Data Preparation --- p.129 / Chapter 5.3.2 --- Experimental Methods --- p.132 / Chapter 5.4 --- Results --- p.134 / Chapter 5.4.1 --- Binding Pose --- p.134 / Chapter 5.4.2 --- Free Energy and Molecular Weight --- p.137 / Chapter 5.4.3 --- Execution Time --- p.138 / Chapter 5.4.4 --- Handling Phosphorus --- p.138 / Chapter 5.5 --- Discussions --- p.139 / Chapter 5.6 --- Conclusion --- p.140 / Chapter 6 --- Interface in Virtual Reality --- p.142 / Chapter 6.1 --- Introduction --- p.143 / Chapter 6.1.1 --- Motivation --- p.143 / Chapter 6.1.2 --- Objective --- p.145 / Chapter 6.1.3 --- Overview --- p.145 / Chapter 6.2 --- Methods and Design --- p.146 / Chapter 6.2.1 --- Hybrid Drug Synthesis --- p.147 / Chapter 6.2.2 --- Interactive Interface in Virtual Reality --- p.154 / Chapter 6.3 --- Experiments and Results --- p.171 / Chapter 6.3.1 --- Data Preparation --- p.171 / Chapter 6.3.2 --- Experimental Settings --- p.172 / Chapter 6.3.3 --- Results --- p.173 / Chapter 6.4 --- Discussions --- p.176 / Chapter 6.5 --- Conclusions --- p.179 / Chapter 7 --- Conclusion --- p.180 / A Glossary --- p.184 / Bibliography --- p.188
| Identifer | oai:union.ndltd.org:cuhk.edu.hk/oai:cuhk-dr:cuhk_327339 |
| Date | January 2011 |
| Contributors | Tse, Ching Man., Chinese University of Hong Kong Graduate School. Division of Computer Science and Engineering. |
| Source Sets | The Chinese University of Hong Kong |
| Language | English, Chinese |
| Detected Language | English |
| Type | Text, bibliography |
| Format | print, xvii, 200 p. : ill. ; 30 cm. |
| Rights | Use of this resource is governed by the terms and conditions of the Creative Commons “Attribution-NonCommercial-NoDerivatives 4.0 International” License (http://creativecommons.org/licenses/by-nc-nd/4.0/) |
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