发明授权
- 专利标题: Method for determining an equilibrium structure of a protein in a predetermined environment
- 专利标题(中): 用于在预定环境中测定蛋白质的平衡结构的方法
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申请号: US12301957申请日: 2007-04-27
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公开(公告)号: US08682590B2公开(公告)日: 2014-03-25
- 发明人: Charles Michael Fortmann , Yeona Kang
- 申请人: Charles Michael Fortmann , Yeona Kang
- 申请人地址: US NY Stony Brook
- 专利权人: The Research Foundation of State University of New York
- 当前专利权人: The Research Foundation of State University of New York
- 当前专利权人地址: US NY Stony Brook
- 代理机构: Baker Botts LLP
- 国际申请: PCT/US2007/067639 WO 20070427
- 国际公布: WO2007/140061 WO 20071206
- 主分类号: G06F19/00
- IPC分类号: G06F19/00 ; G06F17/18
摘要:
Techniques for determining an equilibrium structure of a protein in a predetermined environment, the protein having Ramachandran angles and a known denatured structure, are disclosed. One example method includes determining a maximum RMS volume of the known denatured structure of the protein and calculating at least one force on the protein in its current structure in the predetermined environment. The net torque resulting from the at least one force for each of the Ramachandran angles of the protein is then determined. Then at least one section of the protein structure on a side of a Ramachandran angle with the greatest torque is rotated to form a new structure. A RMS volume for the new structure is then calculated, and the method is repeated using the new structure until the new RMS volume of the new protein structure is not less than the RMS volume of the starting structure.
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