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Liron Barzilay and Tom Susel Project Advisor: Prof. Ruth Nussinov Faculty of Life Sciences, Computer Science Department Bar-Ilan University Nussinov-Wolfson.

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Presentation on theme: "Liron Barzilay and Tom Susel Project Advisor: Prof. Ruth Nussinov Faculty of Life Sciences, Computer Science Department Bar-Ilan University Nussinov-Wolfson."— Presentation transcript:

1 Liron Barzilay and Tom Susel Project Advisor: Prof. Ruth Nussinov Faculty of Life Sciences, Computer Science Department Bar-Ilan University Nussinov-Wolfson Structural Bioinformatics Group, Faculty of Exact Sciences Tel Aviv University

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3 Bacteriophage MS2 CapsidHepatitis delta virus Ribozyme E. Coli Initiator tRNA receptor 3 ectodomain complex with double-stranded RNA Haloarcula marismortui 50s ribosomal unit

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5 Shallow groove Deep groove

6  ?

7  >50% of all ncRNA nucleotides  Most conserved (even more than loops)  Usually Small (<15 BP, Common 2 BP)  1D≈2D

8  ~800 ncRNAs.  ~14500 Helixes.  ~125000 2-BP Helixes (Window 2).

9  mRNAs: 4-Letter Language.  ncRNAs: ~110-Letter Language.  mRNAs: Standard 3’-5’/5’-3’.  ncRNAs: ~3% Reversed 3’-5’/3’-5’.

10  mRNAs: Non-WC BPs Are Rare.  ncRNAs: ~40% Non-WC BPs.  mRNAs: Complete Phosphate Skeleton.  ncRNAs: ~80% Have One or More Phosphate Missing. 

11 Strand AStrand BPositions APositions B Manual selection of ncRNA find_pairs Initial DB Only Valid Helixes BP Manager

12 Strand AStrand BPositions APositions B Distance Matrix Engine All Against All RMSD 9240X92406848X6848 2273X2273

13 Levenshtein Distance (Edit Distance) Inner Cluster RMSD (for closest members)

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15 C++: ~2200 lines. Perl: ~1200 lines. Html/Java script: ~200 lines. Memory and Multi-Processing Optimized. Include Wrap for 3 external tools. BP Manager: 2 hours.  500mb of Helix-Only PDBs DM Engine:8h x 5 = 40 hours. Perl Scripts:30m x 5 = 2.5 hours. C++ code is for Ubuntu (Multi- Processing). Perl is OS-Independent. DM Engine and the associated Perl scripts are very demanding. For window 2 we needed Quad Core @ 3.0 GHz with 4gb of Memory to complete the run before memory overload. Started with 1.2gb of ncRNA PDBs 305mb of small PDBs + 2.2gb of Matrices


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