发明名称 |
METHODS FOR PREDICTION OF BINDING POSES OF A MOLECULE |
摘要 |
A method for prediction of binding poses of a binding molecule to a target molecule is provided. The method involves a step of providing, clustering, and evaluating binding poses of the binding molecule. The providing and clustering of the poses is performed by a single or multiple iteration procedure. The evaluation of the poses is determined from interaction energies between particular poses and the target molecule.
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申请公布号 |
US2011144966(A1) |
申请公布日期 |
2011.06.16 |
申请号 |
US20100944700 |
申请日期 |
2010.11.11 |
申请人 |
GODDARD III WILLIAM A;ABROL RAVINDER;TANRIKULU ISMET C;GRIFFITH ADAM R |
发明人 |
GODDARD, III WILLIAM A.;ABROL RAVINDER;TANRIKULU ISMET C.;GRIFFITH ADAM R. |
分类号 |
G06G7/58 |
主分类号 |
G06G7/58 |
代理机构 |
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代理人 |
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主权项 |
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地址 |
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