Generating folded protein structures with a lattice chain growth algorithm

Hin Hark Gan, Alexander Tropsha, Tamar Schlick

Research output: Contribution to journalArticle

Abstract

The feasibility of using chain growth algorithm is discussed for computing the configurational properties of proteins and their lattice generation. This approach provides an alternative to folding algorithms. It is modified version of the Rosenbluth algorithm and the chain growth transition probability is a normalized Boltzmann factor. The algorithms ability to produce nativelike folds and its effectiveness for calculating protein thermodynamics. We use the chain growth algorithm to evaluate the ability of different energy functions to discern nativelike structures for a set of proteins.

Original languageEnglish (US)
Pages (from-to)5511-5524
Number of pages14
JournalJournal of Chemical Physics
Volume113
Issue number13
DOIs
StatePublished - Oct 1 2000

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proteins
Proteins
transition probabilities
folding
Thermodynamics
thermodynamics
energy

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Generating folded protein structures with a lattice chain growth algorithm. / Gan, Hin Hark; Tropsha, Alexander; Schlick, Tamar.

In: Journal of Chemical Physics, Vol. 113, No. 13, 01.10.2000, p. 5511-5524.

Research output: Contribution to journalArticle

Gan, Hin Hark ; Tropsha, Alexander ; Schlick, Tamar. / Generating folded protein structures with a lattice chain growth algorithm. In: Journal of Chemical Physics. 2000 ; Vol. 113, No. 13. pp. 5511-5524.
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