Computational Approaches in Structural Biology

Computational Biology includes most of the aspects bioinformatics. It is the science of using biological data to develop algorithms or models to understand among various biological systems and relationships. There are approximately more than 3.3 million sequences without structure. This gap in the structural knowledge can be bridged by computation. Computational biology has become an important part of developing emerging technologies for the field of biology. Identification of suitable template of the related protein family plays a major role. The most common approaches in computational biology are ab-initio modeling, homology modeling and threading method. Among these approaches, genetic algorithm is found to be a promising co-operative computational method to solve the structure problem in reasonable time.

Structural bioinformatics is a structural biology studies which characterizes biomolecules and their arrangement at the molecular and atomic level. Structural bioinformatics is related to the prediction and analysis of the three dimensional structure of macromolecules such as protein, DNA, RNA. It deals with the generalization of overall foldsinteractionslocal motifs, structure and functional relationship and molecular folding of experimentally solved structures and computationally predicted structures. It provides an invaluable structural context for conservation and mechanistic analysis leading to functional insight. Lots of structural data is becoming valuable and available and structural proteomics is the process of the high-throughput characterization of the three-dimensional structures of biological macromolecules.

 

  • Quantum Mechanical and Semi-Empirical Calculations
  • Homolgy Modeling
  • Ab-initio Method
  • Threading
  • Algorithms
  • Software
  • Databases
  • Tools

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