Rational and Semirational Protein Design

Methods Mol Biol. 2018:1685:15-23. doi: 10.1007/978-1-4939-7366-8_2.

Abstract

This mini review gives an overview over different design approaches and methodologies applied in rational and semirational enzyme engineering. The underlying principles for engineering novel activities, enantioselectivity, substrate specificity, stability, and pH optimum are summarized.

Keywords: Computational enzyme design; De novo enzyme design; Enantioselectivity; Molecular docking; Molecular dynamics; Rational protein design; Substrate specificity; Thermostability; pH optimum.

Publication types

  • Review

MeSH terms

  • Computational Biology / methods
  • Directed Molecular Evolution / methods*
  • Enzyme Stability
  • Enzymes / chemistry*
  • Enzymes / genetics
  • Enzymes / metabolism
  • Molecular Dynamics Simulation
  • Mutagenesis, Site-Directed
  • Protein Conformation
  • Protein Engineering / methods*
  • Stereoisomerism

Substances

  • Enzymes