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When is a potential accurate enough for structure prediction? Theory and application to a random heteropolymer model of protein folding.
- Source :
-
Journal of Chemical Physics . 4/15/1994, Vol. 100 Issue 8, p6038. 8p. - Publication Year :
- 1994
-
Abstract
- Attempts to predict molecular structure often try to minimize some potential function over a set of structures. Much effort has gone into creating potential functions and into creating algorithms for minimizing these potential functions. This paper develops a formalism that addresses a complementary question: What are the accuracy requirements for a potential function that predicts molecular structure? The formalism is applied to a simple model of a protein structure potential. The results of this calculation suggest that high accuracy predictions (∼1 Å rms deviation in α-carbon positions) of protein structures require monomer–monomer interaction energies accurate to within 5% to 15%. The paper closes with a discussion of the implications of these results for practical structure prediction. [ABSTRACT FROM AUTHOR]
- Subjects :
- *MOLECULAR structure
*PROTEIN folding
*ALGORITHMS
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 100
- Issue :
- 8
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 7626375
- Full Text :
- https://doi.org/10.1063/1.467114