Evolution and physics in comparative protein structure modeling

Andras Fiser, Michael Feig, Charles L. Brooks, Andrej Sali

Research output: Contribution to journalArticle

80 Scopus citations

Abstract

From a physical perspective, the native structure of a protein is a consequence of physical forces acting on the protein and solvent atoms during the folding process. From a biological perspective, the native structure of proteins is a result of evolution over millions of years. Correspondingly, there are two types of protein structure prediction methods, de novo prediction and comparative modeling. We review comparative protein structure modeling and discuss the incorporation of physical considerations into the modeling process. A good starting point for achieving this aim is provided by comparative modeling by satisfaction of spatial restraints. Incorporation of physical considerations is illustrated by an inclusion of solvation effects into the modeling of loops.

Original languageEnglish (US)
Pages (from-to)413-421
Number of pages9
JournalAccounts of Chemical Research
Volume35
Issue number6
DOIs
Publication statusPublished - Jul 6 2002
Externally publishedYes

    Fingerprint

ASJC Scopus subject areas

  • Chemistry(all)

Cite this