A mono-objective evolutionary algorithm for Protein Structure Prediction in structural and energetic contexts

The Protein Structure Prediction (PSP) problem is concerned about the prediction of the native structure of a protein from its amino acid sequence. PSP is a challenging and computationally open problem. Therefore, several researches and methodologies have been developed for it. This paper presents the application of protpred-GROMACS, an evolutionary framework for PSP, in structural and energetic contexts. The performance of mono-objective algorithm was compared with other methodologies, such as multi-objective evolutionary algorithm, coarse grained monte carlo and replica exchange molecular dynamics.