Topological Analysis of Protein Surfaces and Its Role in the Development of New Medicines

The problems of storing, systematization, and accounting for data, accumulated in the process of research on the three-dimensional structure of proteins have been considered in the paper. The main purpose of this paper is to present a new biological information system for mathematical research with cognitive elements. The processes of preparing and carrying out a mathematical analysis have been studied During the design and development of the information system, the processes of preparing and conducting mathematical analysis, topology analysis, triangulation and generation of the foliation of molecular surfaces, diagramming and further interpretation of the analysis results were studied in order to determine the areas of the molecule that can be involved in interaction with other molecules, a structural model in the form of a block model was built and developed schemes and algorithm of work. The resulting system prototype should ease the process of taking into account all of the data, obtained during research, as well as be useful for developing cognitive technologies.