The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.

The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.

Date of Patent:
Aug. 06, 2013

Filed:

Jan. 31, 2011
Applicant:

Richard D. Cramer, Santa Fe, NM (US);

Inventor:

Richard D. Cramer, Santa Fe, NM (US);

Assignee:

Other;

Attorney:
Primary Examiner:
Int. Cl.
CPC ...
G06F 19/00 (2011.01); G01N 31/00 (2006.01); G06G 7/58 (2006.01);
U.S. Cl.
CPC ...
Abstract

The computational drug discovery method disclosed herein permits a user to specify a three dimensional representation of a molecular fragment derived from a query molecule involved in a drug interaction that then serves as a template to which fragments derived from molecules in database libraries may be aligned. The likely activity of the substitution of the fragment from the database library for the fragment from the query molecule may then be predicted by appropriate shape characterization and CoMFA analysis. The spatial three dimensional representation of the query fragment may be developed from binding data, crystallographic data, modeling data, or any other biophysical or biochemical technique.


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