发明申请
US20100250217A1 Docking Pose Selection Optimization via NMR Chemical Shift Perturbation Analysis
审中-公开
通过NMR化学位移扰动分析对接姿势选择优化
- 专利标题： Docking Pose Selection Optimization via NMR Chemical Shift Perturbation Analysis
- 专利标题（中）： 通过NMR化学位移扰动分析对接姿势选择优化
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申请号： US12675503申请日： 2008-08-28
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公开(公告)号： US20100250217A1公开(公告)日： 2010-09-30
- 发明人: Bing Wang , Kenneth Malcom Merz, JR.
- 申请人： Bing Wang , Kenneth Malcom Merz, JR.
- 申请人地址： US FL Gainesville
- 专利权人： UNIVERSITY OF FLORIDA RESEARCH FOUNDATION ,INC.
- 当前专利权人： UNIVERSITY OF FLORIDA RESEARCH FOUNDATION ,INC.
- 当前专利权人地址： US FL Gainesville
- 国际申请： PCT/US2008/074571 WO 20080828
- 主分类号： G06G7/48
- IPC分类号： G06G7/48
摘要：
Using NMRScore to generate an RMSD and evaluating whether the RMSD is below 1 ppm, in order to indicate that a docking software generated pose is a good match with the experimental assessment of a paradigm protein target and paradigm ligand, and therefore that the pose will be useful and accurate for the same target and similar ligands, or similar targets and the same ligands.
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