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DATABASES |
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| RESEARCH |
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The lab focuses on the decipherence of structure - function relationships of lantibiotics.
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Analysis approach based on the various derived sequences of lantibiotics. Primarily a homology search is performed followed by the detection of the conserved areas of the sequences. Following that the evolutionary conservedness of the conserved areas are detected through a BLOCKS search. Once the results are obtained, various phylogenetic packages are used to detect the phylogenetic relationships.
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Once we are done with the sequence analysis portion, the structure derivation team starts its function. Sequence based structure prediction is performed to generate the 3D structures of the differenct classes of lantibiotics.
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The 3D structures that are generated are validated by analyzing their Ramachandran plots and rotamer calculations. The validated structures are then screened for their binding pockets and their relative accessible areas. The delaunay triangulation scores are also calculated, which provides information regarding the buried and the exposed residues. once the active sites are predicted the ligands are selected and are docked to the individual structures. the docking scores are calculated and then the binding affinities are also calculated based on their hydrogen bonding distances and their possible Van der Waal's contact. |
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| SLIDE SHOW |
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