Computational Protein Engineering Approaches for Effective Design of New Molecules

Protein engineering involves synthesis of new proteins, or amendment in the existing protein sequence/structure to achieve desired functions. Novel protein design algorithms, advancement in structural bioinformatics, molecular force fields, and availability of immense information regarding 3D protein structure have made it possible to use computational approaches for protein engineering. Here, successful stories of proteins that have been engineered using in silico approaches have been discussed, with a focus on three important aspects: protein specificity , stability , and novel functionality . Though computational protein engineering methods have evolved to be imperative tools in the tedious and complex process of engineering proteins, some associated challenges that leave scope for further innovation and improvement have also been discussed.