Long Proteins with Unique Optimal Foldings in the H-P Model

O. Aichholzer, D. Bremner, E. Demaine, D. Meijer, V. Sacristán, and M. Soss

Abstract:

It is widely accepted that (1) the natural or folded state of proteins is a global energy minimum, and (2) in most cases proteins fold to a unique state determined by their amino acid sequence. The H-P (hydrophobic-hydrophilic) model is a simple combinatorial model designed to answer qualitative questions about the protein folding process. In this paper we consider a problem suggested by Brian Hayes in 1998: what proteins in the two-dimensional H-P model have unique optimal (minimum energy) foldings? In particular, we prove that there are closed chains of monomers (amino acids) with this property for all (even) lengths; and that there are open monomer chains with this property for all lengths divisible by four.



Reference: O. Aichholzer, D. Bremner, E. Demaine, D. Meijer, V. Sacristán, and M. Soss. Long proteins with unique optimal foldings in the h-p model. Computational Geometry: Theory and Applications, 25:139-159, 2003.

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