Torsion angle approach to nucleic acid distance geometry: TANDY

Ajay Kumar, R. ; Hosur, R. V. ; Govil, G. (1991) Torsion angle approach to nucleic acid distance geometry: TANDY Journal of Biomolecular NMR, 1 (4). pp. 363-378. ISSN 0925-2738

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An efficient algorithm for generating DNA structures from a given set of distance constraints has been developed. The present implementation is suited for single-stranded DNA. The performance of the program has been tested with constraint sets representative of most stringent theoretical cases and also with usually available experimental ones. The results indicate that use of NOE-derived constraints alone generates an extremely large family of conformers and suggest that the quality of structure determination may be enhanced by incorporating additional constraints obtained by other means. The speed of the program makes it ideal for interactive use in conjunction with other complementary algorithms such as those for spectral simulation, energy minimization and molecular dynamics calculations.

Item Type:Article
Source:Copyright of this article belongs to Springer-Verlag.
Keywords:DNA Structure; Distance Geometry; Variable Target Function; Minimization
ID Code:16805
Deposited On:15 Nov 2010 13:14
Last Modified:02 Jun 2011 09:28

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