Analyzing the interplay between secondary and tertiary structure predictions in folding simulations with a genetic algorithm

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Item Type:	Article
Title:	Analyzing the interplay between secondary and tertiary structure predictions in folding simulations with a genetic algorithm
Creators Name:	Dandekar, T. and Du, F.
Abstract:	Three different strategies to tackle mispredictions from incorrect secondary structure prediction are analysed using 21 small proteins (22-121 amino acids; 1-6 secondary structure elements) with known three dimensional structures: (1) Testing accuracy of different secondary structure predictions and improving them by combinations, (2) correcting mispredictions exploiting protein folding simulations with a genetic algorithm and (3) applying and combining experimental data to refine predictions both for secondary structure and tertiary fold. We demonstrate that predictions from secondary structure prediction programs can be efficiently combined to reduce prediction errors from missed secondary structure elements. Further, up to two secondary structure elements (helices, strands) missed by secondary structure prediction were corrected by the genetic algorithm simulation. Finally, we show how input from experimental data is exploited to refine the predictions obtained.
Keywords:	Genetic Algorithm, Secondary Structure Prediction, Tertiary Structure Prediction
Source:	Journal of Molecular Modeling
ISSN:	0948-5023
Publisher:	Springer
Volume:	5
Number:	4
Page Range:	78-89
Date:	1 April 1999
Official Publication:	https://doi.org/10.1007/s0089490050078

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