AI Apparatus for Clustering Protein Folding Structure Using Thermodynamics based on AI and method thereof

摘要

The present invention relates to an apparatus and method for clustering a protein folding structure using AI-based thermodynamics. According to the present invention, in a protein folding structure clustering apparatus using thermodynamics, a protein information collection unit that collects information about a plurality of proteins input through a clustering apparatus, and a plurality of effective energy obtained from a plurality of protein structures whose structure changes frequently An effective energy value obtaining unit for obtaining a value, a reaction coordinate calculating unit for calculating a two-dimensional reaction coordinate using information of the obtained plurality of proteins, and applying an effective energy value to the calculated two-dimensional reaction coordinate It includes a coordinate conversion unit for converting to three-dimensional coordinates, and a clustering unit for clustering protein structures adjacent to the converted three-dimensional coordinates. As described above, according to the present invention, by applying effective energy to the reaction coordinates provided in the 2D form and converting them into coordinates in the 3D form, the protein structure can be classified more finely, and thus folding and misfolding that cause disease are caused. The misfolding structure can be classified into a plurality according to the value of the effective energy to more accurately approach the cause of the disease, and to achieve an effect capable of accurate and reliable diagnosis and treatment.