Data processing: measuring – calibrating – or testing – Measurement system in a specific environment – Biological or biochemical
Reexamination Certificate
2005-02-24
2011-10-11
Clow, Lori A (Department: 1631)
Data processing: measuring, calibrating, or testing
Measurement system in a specific environment
Biological or biochemical
C436S501000
Reexamination Certificate
active
08036831
ABSTRACT:
The present invention is directed to serve ligand screening apparatuses, ligand screening methods, programs and a recording medium for studying the binding analysis between a receptor including an induced-fit type receptor and a ligand. First, analysis and calculation of normal mode are conducted, and then fluctuation of a dihedral angle of a main chain in a steady state is calculated. Then by carrying out a molecular dynamic calculation while imposing constraint on each atom based on the fluctuation, a dynamic structure of the receptor is predicted more accurately. By using the dynamic structure obtained in the molecular dynamic calculation and an interaction function, receptor/ligand binding which is also applicable to an induced-fit type receptor is predicted with high accuracy.
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Arai Ryoichi
Umeyama Hideaki
Watanabe Yoshiaki
Clow Lori A
Foley & Lardner LLP
In-Silico Sciences, Inc.
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