Dataset for the article: In silico design of peptides as potential ligands to resistin

In silico design of peptides to target resistin algorithm Binding free energy (peptide-protein) script We have been able to design a great set of peptides with high scoring binding energy to resistin. Further, two peptides were chosen, to perform a more rigorous calculation of binding free energy based on the Alchemical Absolute Binding Free Energy method. We were able to establish a methodological route for the development of strong candidates for the design of ligands to resistin.