SYSTEMS AND METHODS FOR MODELING A PROTEIN PARAMETER FOR UNDERSTANDING PROTEIN INTERACTIONS AND GENERATING AN ENERGY MAP

摘要

Systems and methods for modeling a three-dimensional protein structure are disclosed. The method includes receiving a primary amino acid sequence of a three-dimensional protein, translating the primary amino acid sequence to a first vector, determining a per-residue conformation index for each amino acid residue in the primary amino acid sequence, determining a vector set for each amino acid residue in the primary amino acid sequence, and using the per-residue interaction vector set to generate a multi-dimensional matrix for the three-dimensional protein structure. The first vector includes a unique numerical descriptor value corresponding to each amino acid residue in the primary amino acid sequence. The vector set includes a plurality per-residue interaction factors corresponding to a plurality of conformation indexes for that amino acid residue.