Computer simulations of membrane protein folding: Structure and dynamics

Chi Ming Chen, C. C. Chen

Research output: Contribution to journalArticle

26 Citations (Scopus)

Abstract

A lattice model of membrane proteins with a composite energy function is proposed to study their folding dynamics and native structures using Monte Carlo simulations. This model successfully predicts the seven helix bundle structure of sensory rhodopsin I by practicing a three-stage folding. Folding dynamics of a transmembrane segment into a helix is further investigated by varying the cooperativity in the formation of a helices for both random folding and assisted folding. The chain length dependence of the folding time of a hydrophobic segment to a helical state is studied for both free and anchored chains. An unusual length dependence in the folding time of anchored chains is observed.

Original languageEnglish
Pages (from-to)1902-1908
Number of pages7
JournalBiophysical Journal
Volume84
Issue number3
DOIs
Publication statusPublished - 2003 Mar 1

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ASJC Scopus subject areas

  • Biophysics

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