Structural Bioinformatics studies the structure of biological molecules and compounds, such as the structure of proteins, RNA structure, even the structure of DNA. There are two main approaches – molecular dynamics, which simulated the movement of molecules under the action of physical fields and statistical, containing a variety of methods, allowing on the basis of comparing the sequences of amino acids or nucleotides represented in databases to predict the structure of the molecule under study. In addition to predicting the structure of a single molecule this section will address the problem of studying of mechanisms of small molecule interaction with protein, prediction by computational methods of interaction of transcription factors (proteins that control the expression of genes) with DNA and others.