Aditi Gupta

Publications (3)9.56 Total impact

• Article: Identifying complete RNA structural ensembles including pseudoknots.

  Aditi Gupta, Reazur Rahman, Kejie Li, Michael Gribskov
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  ABSTRACT: The close relationship between RNA structure and function underlines the significance of accurately predicting RNA structures from sequence information. Structural topologies such as pseudoknots are of particular interest due to their ubiquity and direct involvement in RNA function, but identifying pseudoknots is a computationally challenging problem and existing heuristic approaches usually perform poorly for RNA sequences of even a few hundred bases. We survey the performance of pseudoknot prediction methods on a data set of full-length RNA sequences representing varied sequence lengths, and biological RNA classes such as RNase P RNA, Group I Intron, tmRNA and tRNA. Pseudoknot prediction methods are compared with minimum free energy and suboptimal secondary structure prediction methods in terms of correct base-pairs, stems and pseudoknots and we find that the ensemble of suboptimal structure predictions succeeds in identifying correct structural elements in RNA that are usually missed in MFE and pseudoknot predictions. We propose a strategy to identify a comprehensive set of non-redundant stems in the suboptimal structure space of a RNA molecule by applying heuristics that reduce the structural redundancy of the predicted suboptimal structures by merging slightly varying stems that are predicted to form in local sequence regions. This reduced-redundancy set of structural elements consistently outperforms more specialized approaches.in data sets. Thus, the suboptimal folding space can be used to represent the structural diversity of an RNA molecule more comprehensively than optimal structure prediction approaches alone.
  RNA biology 02/2012; 9(2):187-99. · 5.56 Impact Factor
• Article: The role of RNA sequence and structure in RNA--protein interactions.

  Aditi Gupta, Michael Gribskov
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  ABSTRACT: We investigate the sequence and structural properties of RNA--protein interaction sites in 211 RNA--protein chain pairs, the largest set of RNA--protein complexes analyzed to date. Statistical analysis confirms and extends earlier analyses made on smaller data sets. There are 24.6% of hydrogen bonds between RNA and protein that are nucleobase specific, indicating the importance of both nucleobase-specific and -nonspecific interactions. While there is no significant difference between RNA base frequencies in protein-binding and non-binding regions, distinct preferences for RNA bases, RNA structural states, protein residues, and protein secondary structure emerge when nucleobase-specific and -nonspecific interactions are considered separately. Guanine nucleobase and unpaired RNA structural states are significantly preferred in nucleobase-specific interactions; however, nonspecific interactions disfavor guanine, while still favoring unpaired RNA structural states. The opposite preferences of nucleobase-specific and -nonspecific interactions for guanine may explain discrepancies between earlier studies with regard to base preferences in RNA--protein interaction regions. Preferences for amino acid residues differ significantly between nucleobase-specific and -nonspecific interactions, with nonspecific interactions showing the expected bias towards positively charged residues. Irregular protein structures are strongly favored in interactions with the protein backbone, whereas there is little preference for specific protein secondary structure in either nucleobase-specific interaction or -nonspecific interaction. Overall, this study shows strong preferences for both RNA bases and RNA structural states in protein--RNA interactions, indicating their mutual importance in protein recognition.
  Journal of Molecular Biology 06/2011; 409(4):574-87. · 4.00 Impact Factor
• Conference Proceeding: Pattern Matching in RNA Structures.

  Kejie Li, Reazur Rahman, Aditi Gupta, Prasad Siddavatam, Michael Gribskov
  Bioinformatics Research and Applications, Fourth International Symposium, ISBRA 2008, Atlanta, GA, USA, May 6-9, 2008. Proceedings; 01/2008