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Fast computational methods for predicting protein structure from primary amino acid sequence

United States Patent

July 19, 2011
View the Complete Patent at the US Patent & Trademark Office
Oak Ridge National Laboratory - Visit the Partnerships Directorate Website
The present invention provides a method utilizing primary amino acid sequence of a protein, energy minimization, molecular dynamics and protein vibrational modes to predict three-dimensional structure of a protein. The present invention also determines possible intermediates in the protein folding pathway. The present invention has important applications to the design of novel drugs as well as protein engineering. The present invention predicts the three-dimensional structure of a protein independent of size of the protein, overcoming a significant limitation in the prior art.
Agarwal; Pratul Kumar (Knoxville, TN)
UT-Battelle, LLC (Oak Ridge, TN)
11/ 796,418
April 27, 2007
The United States Government has rights in this invention pursuant to contract no. DE-AC05-00OR22725 between the United States Department of Energy and UT-Battelle, LLC.