Free energy landscape (FEL)

FEL promotes the dynamic energy distribution and structure-function correlation of mutational residues variable in the protein system, which helps to visualize the stability of wild and mutant conformations for a protein [39]. The free energy minima regularly characterizes the conformational group in the stable states. The free energy barriers represented by the transient states of free energy values of backbone atoms in different systems, according the Gibb’s free energy method [40]. In this study, we compared FEL values to identify the dominant conformational states, function of the enthalpy, and entropy of protein in wild and mutant conformations of PROM1 protein by using GROMACS package software based on the PCA data.