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Abhishek Kumar, Narendar Kolimi#, L Ponoop P Patro# and Thenmalarchelvi Ratinavelan* (Department of Biotechnology, Indian Institute of Technology Hyderabad, Kandi, Telangana, India-502285.)
Understanding the biomolecular phenomenon like replication, transcription, recombination etc. at the atomistic level demands a sophisticated modeling tool to generate and visualize secondary structures of nucleic acids such as duplexes, triplexes, quadruplexes etc. Here, we have developed 3D-NuS, a web-server for an automated modeling and visualization of 3-dimensional nucleic acid structures. In this context, 3D-NuS builds DNA and RNA duplexes containing all possible combinations of mismatches along with canonical base pairs in an automated way. In the perspective of antisense therapeutics, replication & transcription etc., 3D-NuS also models RNA-DNA hybrids in any sequence context. Further, it generates triplex and quadruplex structures with all possible combinations of DNA & RNA strands. Built models can be downloaded as well as visualized through http://www.iith.ac.in/3dnus/. The models built by 3D-NuS will be useful to explore the dynamics of the aforementioned molecules as well as in their docking with proteins & small molecules to facilitate the understanding of the biological phenomenon and to address the therapeutics.