title: Computational approaches for rational design of proteins with novel functionalities.
abstract: Proteins are the most multifaceted macromolecules in living systems and have various important functions, including structural, catalytic, sensory, and regulatory functions. Rational design of enzymes is a great challenge to our understanding of protein structure and physical chemistry and has numerous potential applications. Protein design algorithms have been applied to design or engineer proteins that fold, fold faster, catalyze, catalyze faster, signal, and adopt preferred conformational states. The field of de novo protein design, although only a few decades old, is beginning to produce exciting results. Developments in this field are already having a significant impact on biotechnology and chemical biology. The application of powerful computational methods for functional protein designing has recently succeeded at engineering target activities. Here, we review recently reported de novo functional proteins that were developed using various protein design approaches, including rational design, computational optimization, and selection from combinatorial libraries, highlighting recent advances and successes.
authors.affiliation: Department of Chemical Engineering, Konkuk University, 1 Hwayang-Dong, Gwangjin-Gu, Seoul 143-701, Korea ; These authors contributed equally.
authors.forename: Manish Kumar
authors.initials: MK
authors.lastname: Tiwari
authors.affiliation: Department of Chemical Engineering, Konkuk University, 1 Hwayang-Dong, Gwangjin-Gu, Seoul 143-701, Korea ; These authors contributed equally.
authors.forename: Ranjitha
authors.initials: R
authors.lastname: Singh
authors.affiliation: Department of Chemical Engineering, Konkuk University, 1 Hwayang-Dong, Gwangjin-Gu, Seoul 143-701, Korea.
authors.forename: Raushan Kumar
authors.initials: RK
authors.lastname: Singh
authors.affiliation: Department of Chemical Engineering, Konkuk University, 1 Hwayang-Dong, Gwangjin-Gu, Seoul 143-701, Korea.
authors.forename: In-Won
authors.initials: IW
authors.lastname: Kim
authors.affiliation: Department of Chemical Engineering, Konkuk University, 1 Hwayang-Dong, Gwangjin-Gu, Seoul 143-701, Korea ; Institute of SK-KU Biomaterials, Konkuk University, 1 Hwayang-Dong, Gwangjin-Gu, Seoul 143-701, Korea.
authors.forename: Jung-Kul
authors.initials: JK
authors.lastname: Lee
keywords: DEZYMER; De novo protein design; K* algorithm; ORBIT; ROSETTA; computational protein design; designed therapeutic proteins; metalloproteins