L, Ponoop Prasad Patro
(2016)
Computational tools to model and analyze biomolecular structures and interactions.
Masters thesis, Indian Institute of Technology Hyderabad.
Abstract
Development of the interdisciplinary branch, bioinformatics, is a blessing for life
science research. It made the analysis, model, pattern recognition a
nd visualization
of biological data much easier, efficient and accessible. Now the research in life
science is much stronger with efficient outcomes in a shorter period with minimized
error, cost and labor. The bioinformatics tools have helped us in better
understanding of a process or pathway with aiding us to analyze them with our
convenience. In my thesis work I have worked on three fields, modelling of 3
dimensional nucleic acid structures, finding the steric hindrance in molecules and
identifying the a
mino acids surrounding the sugar ligand in a catalytic pocket to
identify catalysis sites in the protein as they are highly conserved invariant of the
source organism. The nucleic acid models generated through our server can be
utilized as starting model f
or different research purposes related to nucleic acids and
interactions associated to them. Steric hindrance identifier will help in validating
models and the identified conserved aminoacids will further be used in automated
identification of catalytic si
tes in glycosidases and can also be useful in explaining
the cause specificity and selectivity of the proteins towards a specific sugar moiety
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