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

Agarwal, Pratul Kumar

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

Patent · 19 July 2011

OSTI ID:1019406

Agarwal, Pratul Kumar ^[1]

Knoxville, TN

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.

Research Organization:: UT-Battelle, LLC (Oak Ridge, TN)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC05-00OR22725

Assignee:: UT-Battelle, LLC (Oak Ridge, TN)

Patent Number(s):: 7,983,887

Application Number:: US Patent Application 11/796,418

OSTI ID:: 1019406

Country of Publication:: United States

Language:: English

References (12)

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Protein Dynamics and Enzymatic Catalysis: Investigating the Peptidyl−Prolyl Cis−Trans Isomerization Activity of Cyclophilin A ^† Agarwal, Pratul K.; Geist, Al; Gorin, Andrey Biochemistry, Vol. 43, Issue 33 https://doi.org/10.1021/bi0495228	journal	August 2004
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