Invention Grant
- Patent Title: Method for determining an equilibrium structure of a protein in a predetermined environment
- Patent Title (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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Application No.: US12301957Application Date: 2007-04-27
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Publication No.: US08682590B2Publication Date: 2014-03-25
- Inventor: Charles Michael Fortmann , Yeona Kang
- Applicant: Charles Michael Fortmann , Yeona Kang
- Applicant Address: US NY Stony Brook
- Assignee: The Research Foundation of State University of New York
- Current Assignee: The Research Foundation of State University of New York
- Current Assignee Address: US NY Stony Brook
- Agency: Baker Botts LLP
- International Application: PCT/US2007/067639 WO 20070427
- International Announcement: WO2007/140061 WO 20071206
- Main IPC: G06F19/00
- IPC: G06F19/00 ; G06F17/18

Abstract:
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.
Public/Granted literature
- US20100280223A1 METHOD FOR DETERMINING AND PREDICTING PROTEIN AUTONOMOUS FOLDING Public/Granted day:2010-11-04
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