Bat Algorithm for Protein Conformational Search

Abstract

Determining the lowest protein free energy conformation (protein structure) is consider NP-hard problem. In this paper, the bat algorithm was applied to the protein conformational search problem. It utilized torsion angles protein representation, ECEPP energy function, and bats behavior to explore the protein conformational search space. Met-enkephalin a small protein used normally as a benchmark of protein conformational search algorithms was used to test the algorithm. Computational experiments showed that the applied algorithm found the reported lowest energy (-12.91 kcal/mol) conformation for ECEPP/2 and (-12.43 kcal/mol) conformation for ECEPP/3.