Andrzej Kolinski Research Group

Coarse-grained protein modeling

Modeling Software & Servers

Biomolecules — dynamics & interactions

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Lattice polymers and protein models

Source:

Multiscale Approaches to Protein Modeling, Andrzej Koliński, Ed., Springer, New York:1-20, 2011

Abstract

The size of conformational space of chain polymers is enormous. Much has been learned about polymer structure, thermodynamics, and dynamics by theoretical considerations and numerical study of simple lattice models. Self-avoiding random walks on a lattice provide a good approximation for the excluded volume effect and nature of the coil–globule transition. Semiflexible polymers on a lattice exhibit two-state collapse transition that captures some essential features of the all-or-none folding transition of small globular proteins. More complex, decorated with some structural details, lattice polymers provide a very powerful means for study of protein dynamics and thermodynamics and protein structure prediction.