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IEEE/ACM Trans Comput Biol Bioinform. 2012 Nov-Dec;9(6):1847-9. doi: 10.1109/TCBB.2012.129.

"Pull moves" for rectangular lattice polymer models are not fully reversible.

Author information

  • 1Enzymology, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Karolina ut 29, H-1113 Budapest, Hungary. gydlacf@enzim.hu

Abstract

"Pull moves" is a popular move set for lattice polymer model simulations. We show that the proof given for its reversibility earlier is flawed, and some moves are irreversible, which leads to biases in the parameters estimated from the simulations. We show how to make the move set fully reversible.

PMID:
23221093
[PubMed - indexed for MEDLINE]
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