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"Pull Moves" for Rectangular Lattice Polymer Models Are Not Fully Reversible
Nov.-Dec. 2012 (vol. 9 no. 6)
pp. 1847-1849
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.
Index Terms:
proteins,bioinformatics,molecular biophysics,molecular configurations,polymers,lattice polymer model simulation,pull moves,rectangular lattice polymer models,Mathematical model,Lattices,Computational biology,Bioinformatics,Polymers,HP model,Pull moves,lattice model
Citation:
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. 6, pp. 1847-1849, Nov.-Dec. 2012, doi:10.1109/TCBB.2012.129
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