Evolutionary Algorithms to Minimize Interaction Energy Between Drug Molecule and Target Protein in Streptococcus

摘要

It has been shown how PSO method gives better performance than GA (both fixed and variable length). In this paper, we have taken input from pdb file, analyzed it, created 2D and 3D architecture, and used evolutionary algorithms to find out probable ligand structure. This work has helped in digging very basic domain knowledge of computational biology and evolutionary algorithms. A similar case study can also be applied to other drug design problems to have optimized data based on different evolutionary algorithms.