Fast computational methods for predicting protein structure from primary amino acid sequence
Abstract
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.
- Inventors:
-
- Knoxville, TN
- Issue Date:
- Research Org.:
- UT-Battelle LLC/ORNL, Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1019406
- Patent Number(s):
- 7983887
- Application Number:
- US Patent Application 11/796,418
- Assignee:
- UT-Battelle, LLC (Oak Ridge, TN)
- Patent Classifications (CPCs):
-
G - PHYSICS G16 - INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS G16B - BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
- DOE Contract Number:
- AC05-00OR22725
- Resource Type:
- Patent
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 59 BASIC BIOLOGICAL SCIENCES; 97 MATHEMATICS AND COMPUTING
Citation Formats
Agarwal, Pratul Kumar. Fast computational methods for predicting protein structure from primary amino acid sequence. United States: N. p., 2011.
Web.
Agarwal, Pratul Kumar. Fast computational methods for predicting protein structure from primary amino acid sequence. United States.
Agarwal, Pratul Kumar. Tue .
"Fast computational methods for predicting protein structure from primary amino acid sequence". United States. https://www.osti.gov/servlets/purl/1019406.
@article{osti_1019406,
title = {Fast computational methods for predicting protein structure from primary amino acid sequence},
author = {Agarwal, Pratul Kumar},
abstractNote = {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.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 19 00:00:00 EDT 2011},
month = {Tue Jul 19 00:00:00 EDT 2011}
}
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