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US 2006/0188870 A1Published application
Identification of active sites in enzymes
OwnerAvi Ben-Shimon, Miriam Eisensteininventors
Life of this patent
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Abstract
A method for determining the location of the active site of an enzyme is provided. The method comprising: determining a location of a reference point inside a functional unit of the enzyme; determining a limiting distance from the reference point; and identifying one or more molecular surface portions within the limiting distance to determine whether the molecular surface portion is part of the active site.
Claims30
A method for determining the location of the active site of an enzyme, comprising:
- determining a location of a reference point inside a functional unit of the enzyme;
- determining a limiting distance from said reference point;
- and
- identifying one or more molecular surface portions within said limiting distance to determine whether said molecular surface portion is part of the active site.
1 more element
A method for determining docking of a ligand to an enzyme, comprising:
- providing a plurality of docking solutions for docking the ligand to the enzyme;
- determining a limiting distance between the ligand docking site and a reference point of the enzyme;
- and
- ranking said docking solutions at least according to said limiting distance.
1 more element
Dependencies are inferred from the claim text.