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1. (WO2003083438) METHODS AND SYSTEMS FOR MOLECULAR MODELING

Pub. No.:    WO/2003/083438    International Application No.:    PCT/US2003/009462
Publication Date: Fri Oct 10 01:59:59 CEST 2003 International Filing Date: Thu Mar 27 00:59:59 CET 2003
IPC: G01N 33/68
Applicants: CARNEGIE MELLON UNIVERSITY
CAMPBELL, Phil, G.
COHEN, Alexander, P.
ERNST, Lauren, A.
ERNSTHAUSEN, John
FARKAS, Daniel, L.
GALBRAITH, William
ISRAELOWITZ, Meir
Inventors: CAMPBELL, Phil, G.
COHEN, Alexander, P.
ERNST, Lauren, A.
ERNSTHAUSEN, John
FARKAS, Daniel, L.
GALBRAITH, William
ISRAELOWITZ, Meir
Title: METHODS AND SYSTEMS FOR MOLECULAR MODELING
Abstract:
The present invention is in part directed molecular modeling. In one aspect, a method for determining a structure of a protein is provided, comprising determining the minimum excluded volume of said protein. In another aspect, a method for identifying molecules is provided. In yet another aspect, a computer product is provided for determining the structure of a protein.