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Home >> Industrial and Microbial Biotechnology >> Protein and Enzymes Engineering >>Protein Modeling

Protein Modeling
Utilizing the data generated through X-ray diffraction and NMR studies, models can be constructed with the help of computer graphics. There are computer programmes available (interactive colour graphics programmes) with the help of which a protein structure ca be fitted to the electron density map (obtained from X-ray diffraction) by simultaneous display on the screen of computer monitor.
Similarly, Van der Waals surfaces for the protein can be displayed and interaction between several molecules simulated.
There are also other interactive molecular graphics which can be used (with the help of computer software) to find out the perturbations (disturbances) in proteins structure that will result from specific modifications of amino acid sequences.

We know that to some extent the three dimensional structure of a protein can be predicted from the amino acid sequence, but we still have to depend partly on X-ray diffraction patterns for determining the three dimensional structure. In future when the three dimensional structure can be accurately predicted from amino acid sequence data, this will lead to long term success in protein engineering. The models of proteins, mad  on the basis of amino acid alteration, can then be tested for the predictions about structure- function relationships.

 

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