Relative Binding Free Energy Computation of GSK-3β Kinase-Ligand Complexes Using Thermodynamic Integration MD Simulation: Compounds with Pyrazolo-Pyridazin Fused Ring
碩士 === 國立臺灣師範大學 === 化學系 === 103 === Glycogen synthase kinase 3 (GSK-3) is a serine/threonine kinase that plays an important role in the pathogenesis of Alzheimer's disease (AD). It was postulated that when GSK-3β kinase’s activity is too high, it over-phosphorylates tau protein and causes AD.In...
Main Authors: | Hsu, Wen-Chi, 許文綺 |
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Other Authors: | Sun, Ying-Chieh |
Format: | Others |
Language: | zh-TW |
Published: |
2015
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Online Access: | http://ndltd.ncl.edu.tw/handle/565ht6 |
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