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Folding and association of a homotetrameric protein complex in an all-atom Go model

by: W. M. Berhanu, P. Jiang, U. H. E. Hansmann
Physical Review E, Vol. 87 (Jan 2013), 014701, doi:10.1103/physreve.87.014701  Key: citeulike:11894631

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Abstract

The 84-residue homotetrameric BBAT1 is one of the smallest stable protein complexes and therefore is a good test system to study the self-assembly of multimeric proteins. We have researched for this protein the interplay between the folding of monomers and their assembly into tetramers. Replica exchange molecular dynamics simulations relying on a Go model are compared with earlier simulations that use the physics-based coarse-grained UNRES model.


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