Issue No. 06 - Nov.-Dec. (2012 vol. 9)
DOI Bookmark: http://doi.ieeecomputersociety.org/10.1109/TCBB.2012.129
D. Györffy , Res. Centre for Natural Sci., Inst. of Enzymology, Budapest, Hungary
P. Zavodszky , Res. Centre for Natural Sci., Inst. of Enzymology, Budapest, Hungary
A. Szilágyi , Res. Centre for Natural Sci., Inst. of Enzymology, Budapest, Hungary
"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.
Mathematical model, Lattices, Computational biology, Bioinformatics, Polymers,HP model, Pull moves, lattice model
D. Györffy, P. Zavodszky, A. Szilágyi, ""Pull Moves" for Rectangular Lattice Polymer Models Are Not Fully Reversible", IEEE/ACM Transactions on Computational Biology and Bioinformatics, vol. 9, no. , pp. 1847-1849, Nov.-Dec. 2012, doi:10.1109/TCBB.2012.129