Folding dynamics with nonadditive forces: A simulation study of a designed helical protein and a random heteropolymer

Shoji Takada, Zaida Luthey-Schulten, Peter G. Wolynes

Research output: Contribution to journalArticlepeer-review

Abstract

A reduced model of proteins was proposed for capturing the backbone structure quite completely, while the side chain is simplified to be spheres. The solvent effects are indirectly incorporated without explicitly using water molecules. The interactions are all consistent with physicochemical knowledge and therefore involve nonadditive forces taking into account the effect of solvent.

Original languageEnglish (US)
Pages (from-to)11616-11629
Number of pages14
JournalJournal of Chemical Physics
Volume110
Issue number23
DOIs
StatePublished - Jun 15 1999

ASJC Scopus subject areas

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

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