geoscience.net logo
+ Resolve Article
+ Follow Us
Follow on FacebookFollow on Facebook
Follow on TwitterFollow on Twitter

+ Translate
+ Subscribe to Site Feed
GeoScience Most Shared ContentMost Shared Content

Predicting nucleic acid torsion angle values using artificial neural networks


, : Predicting nucleic acid torsion angle values using artificial neural networks. Journal of Computer-Aided Molecular Design 12(1): 53-61, Jan

By means of an error back-propagation artificial neural network, a new method to predict the torsion angles chi, zeta and alpha from torsion angles delta, epsilon, beta and gamma for nucleic acid dinucleotides is introduced. To build a model, training sets and test sets of 163 and 81 dinucleotides, respectively, with known crystal structures, were assembled. With 7 hidden units in a three-layered network a model with good predictive ability is constructed. About 70 to 80% of the residuals for predicted torsion angles are smaller than 10 degrees. This means that such a model can be used to construct trial structures for conformational analysis that can be refined further. Moreover, when reasonable estimates for delta, epsilon, beta and gamma are extracted from COSY experiments, this procedure can easily be extended to predict torsion angles for structures in solution.

US$19.90

PMID: 9570089

DOI: 10.1023/a:1007946620744


Other references

Pratt C.M.; Swenson R.D.; Price J.E.; Vismara L.A.; Amsterdam E.A.; Fashinell T.R.; Miller R.R.; Mason D.T.; D.M.ria A.N., 1978: Prevalence and nature of ventricular ectopy in coronary disease relation to extent of athero sclerosis and ventricular dys function. Clinical Research 26(3): 261A

Kim, N.Yee.; Song, E.Jeong.; Kwon, D.Young.; Kim, H.Pyo.; Heo, M.Young., 2008: Antioxidant and antigenotoxic activities of Korean fermented soybean. This study was aimed at evaluating the antioxidative and antigenotoxic activities of Korean fermented soybean (Chungkookjang) <i>in vitro</i> and <i>in vivo</i>. The 100% ethanol extract of Chungkookjang (CKJ) inhibited the...

Lu, Z.; Wu, M.; Wu, S.; Yang, S.; Li, Y.; Liu, X.; Zheng, L.; Cao, Q.; Ding, Z., 2016: Modulating the optical properties of the AIE fluophor confined within UiO-66's nanochannels for chemical sensing. NlmCategory="UNASSIGNED">Transformation of aggregation induced emission (AIE) molecules into functional materials can greatly tune their fluorescence properties and expand their related potential applications. Here, we demonstrate a f...

T.M.M.farland; C.V.n Riper III.G.E.J.hnson, 2012: Evaluation of NDVI to assess avian abundance and richness along the upper San Pedro River. Remote-sensing models have become increasingly popular for identifying, characterizing, monitoring, and predicting avian habitat but have largely focused on single bird species. The Normalized Difference Vegetation Index (NDVI) has been shown to p...

Jaber, R.; Madhivanan, P.; Khader, Y.; Mzayek, F.; Ward, K.D.; Maziak, W., 2016: Predictors of waterpipe smoking progression among youth in Irbid, Jordan: A longitudinal study (2008-2011). The predictors of waterpipe smoking progression are yet to be examined using a longitudinal study that is guided by a theoretical model of behavioral change. This study identifies the gender-specific predictors of waterpipe smoking progression amo...

Yochelson, E., L.; Lindemann, R., H., 2007: Field-work days collecting in New York for James Hall (1811-1898) as recorded in the pocket diary of C.D. Walcott 1877-1878. Charles Doolittle Walcott (1850-1927) is best known for his pioneering work on Cambrian faunas and stratigraphy. However, his contributions to the study of New York's Devonian faunas, particularly Lower Devonian bryozoans, have gone without m...

Pope, F., 2010: Political cartoonists respond to Medicare. Debates about health care policy are a rich topic for editorial cartoonists. The 17 cartoons described here, from the period 1944 to 1986, cover the implementation of universal hospital and medical care insurance as well as the subsequent passage...

Orchymont, A. dapos., 1916: Notes pour la classification et la phylogenie des Palpicornia. Annales de la Societe Entomologique Paris, 85 91-106

Ward, D.T.; Metz, L.N.; Horst, P.K.; Kim, H.T.; Kuo, A.C., 2016: Complications of Morbid Obesity in Total Joint Arthroplasty: Risk Stratification Based on BMI. This study stratifies complication risk in primary total joint arthroplasty (TJA) based on body mass index (BMI). Demographics, co-morbidities, perioperative variables, and complications were reviewed for 22,808 patients. Chi-squared, one-way ANOV...

Chen, C.; Liu, Y.; Liu, Y.; Zheng, P., 2010: Mammalian target of rapamycin activation underlies HSC defects in autoimmune disease and inflammation in mice. The mammalian target of rapamycin (mTOR) is a signaling molecule that senses environmental cues, such as nutrient status and oxygen supply, to regulate cell growth, proliferation, and other functions. Unchecked, sustained mTOR activity results in...