Theoretical investigations on model ternary polypeptides using genetic algorithm-Some new results

► GA has been used for theoretical tailoring of aperiodic ternary polypeptides. ► Band gap of polypeptide chain decreases in presence of solvation shell. ► Band gap decreases in presence of cations in the vicinity of the chain. ► H+ ion acts as a strong electron acceptor than Li+ ion due to smaller size.