The main goal of this study is utilizing domination and fractional domination in computational biology. The domination number of a graph is the size of the smallest domination set. The collection of vertices with non-negative weights is known as a fractional domination set such that the sum of the weights of the vertices and their neighbours is at least one. In the given study our proposed approach can be used to apply the domination and fractional domination concepts for connected graph using adjacency matrix and LPP formulation. Here we have used these conceptsin computational biological systems such as gene regulatory networks, protein-protein interaction networks and healthcare network optimization. Computational biology is an interdisciplinary field that applies computational techniques and mathematical models to analyse and interpret biological data.