Electrostatics in computational protein design

Curr Opin Chem Biol. 2005 Dec;9(6):622-6. doi: 10.1016/j.cbpa.2005.10.014. Epub 2005 Oct 28.

Abstract

Catalytic activity and protein-protein recognition have proven to be significant challenges for computational protein design. Electrostatic interactions are crucial for these and other protein functions, and therefore accurate modeling of electrostatics is necessary for successfully advancing protein design into the realm of protein function. This review focuses on recent progress in modeling electrostatic interactions in computational protein design, with particular emphasis on continuum models.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.
  • Review

MeSH terms

  • Computer Simulation*
  • Models, Theoretical
  • Protein Conformation
  • Proteins / chemistry*
  • Static Electricity*

Substances

  • Proteins