Protein structure prediction

Proteins are very flexible biomolecules. The accurate knowledge of protein structure is very important from its functional point of view. In protein structure prediction, the three-dimensional structure of a protein is modeled from its amino acid sequence using knowledge-based approaches. Computational algorithms and tools have made significant improvements in the field of structural modeling. Protein structure prediction methods include comparative modeling (homology modeling), threading, and ab initio approach. Several tools and software have been developed for the 3D modeling of proteins. Each protein modeling methods have certain limitations that should be kept in mind while selecting a tool for structure modeling. The structural details of X-ray crystallography and nuclear magnetic resonance spectroscopy-verified protein structures guide the development of modeling software and also useful in assessing the accuracy of the protein model.