PROTPRED-GROMACS: EVOLUTIONAY ALGORITHM WITH GROMACS FOR PROTEIN STRUCTURE PREDICTION

摘要

The Protein Structure Prediction (PSP) problem is concerned about the prediction of the native tertiary structure of a protein given its amino acids sequence. PSP is a challenging and computationaly open problem. Therefore, several researches and methodologies are been devoloped for it. Because of this complexity the community has a lot of computaticional frameworks which provides access to a wide range of modeling capabilities. This paper presents the integration of ProtPred algorithm with Gromacs.