Statistical mechanical refinement of protein structure prediction schemes. II. Mayer cluster expansion approach

Michael P. Eastwood, Corey Hardin, Zaida Luthey-Schulten, Peter G. Wolynes

Research output: Contribution to journalArticlepeer-review

Abstract

The accuracy of a Mayer-cluster-type expansion for quantifying the changes to the energy landscape of a reduced model of a protein as a side-chain excluded volume is introduced was examined. Despite a modest improvement in performance, the method provided a reasonable quantitative estimate of the improvement available.

Original languageEnglish (US)
Pages (from-to)8500-8512
Number of pages13
JournalJournal of Chemical Physics
Volume118
Issue number18
DOIs
StatePublished - May 8 2003

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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