Computation of Relative Binding Free Energy of GSK-3β Kinase-inhibitor Complexes Using Thermodynamic Integration Molecular Dynamics Simulation
碩士 === 國立臺灣師範大學 === 化學系 === 101 === GSK-3β kinase phosphorylates the downstream protein tau protein. It is thought that, over-phosphorylation of this reaction is one of the pathological mechanisms inducing Alzheimer's disease. In the present study, we calculated the relative binding free energy...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2013
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| Online Access: | http://ndltd.ncl.edu.tw/handle/33696931181240259049 |