Computational bioanalysis of proteins

The use of computational methods for bioanalysis of proteins is described. The use of computational methods involves modeling of the relevant protein, and consequently doing the analysis with it. Another approach for generating a computational model is to use data from spectroscopic methods or molecular biology. In another approach, a ligand is placed at various positions on the protein and the fitting of the ligand with the protein is assessed and ranked on the basis of a proper geometric fit.