Variable Genetic Operator Search for the Molecular Docking Problem

摘要

The aim of this work is to present a new hybrid algorithm for the Molecular Docking problem: Variable Genetic Operator Search (VGOS). The proposed method combines an Evolutionary Algorithm with Variable Neighborhood Search. Experimental results show that the algorithm is able to achieve good results, in terms of energy optimization and RMSD values for several molecules when compared with previous approaches. In addition, when hybridized with the L-BFGS local search method it attains very competitive results.