Homology as a tool in optimization problems: Structure determination of 2D heteropolymers

Chen Keasar, Ron Elber

Research output: Contribution to journalArticlepeer-review

12 Scopus citations

Abstract

A combination of two complementary approaches that are widely used to predict protein structure - homology and energy-based methods - is proposed. The algorithm is discussed in detail and is demonstrated to be a useful tool for optimization. The properties of the combination are exemplified on a simple model system: structural optimization of 2D heteropolymers on a square lattice. The algorithm is considerably more efficient than simulated annealing in the system studied. The relevance of the results of the protein folding problem is discussed.

Original languageEnglish
Pages (from-to)11550-11556
Number of pages7
JournalJournal of Physical Chemistry
Volume99
Issue number29
DOIs
StatePublished - 1 Jan 1995
Externally publishedYes

ASJC Scopus subject areas

  • General Engineering
  • Physical and Theoretical Chemistry

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