https://doi.org/10.1140/epje/i2009-10497-3
Regular Article
Ground-state properties of tubelike flexible polymers
1
Institut für Theoretische Physik and Centre for Theoretical Sciences (NTZ), Universität Leipzig, Postfach 100 920, 04009, Leipzig, Germany
2
Jülich Supercomputing Centre, Forschungszentrum Jülich, 52425, Jülich, Germany
3
Institut für Festkörperforschung, Theorie II, Forschungszentrum Jülich, 52425, Jülich, Germany
* e-mail: t.vogel@fz-juelich.de
** e-mail: t.neuhaus@fz-juelich.de
*** e-mail: m.bachmann@fz-juelich.de
**** e-mail: janke@itp.uni-leipzig.de
Received:
28
March
2009
Accepted:
15
July
2009
Published online:
24
September
2009
In this work we investigate the structural properties of native states of a simple model for short flexible homopolymers, where the steric influence of monomeric side chains is effectively introduced by a thickness constraint. This geometric constraint is implemented through the concept of the global radius of curvature and affects the conformational topology of ground-state structures. A systematic analysis allows for a thickness-dependent classification of the dominant ground-state topologies. It turns out that helical structures, strands, rings, and coils are natural, intrinsic geometries of such tubelike objects.
PACS: 05.10.-a Computational methods in statistical physics and nonlinear dynamics – / 87.15.A- Theory, modeling, and computer simulation – / 87.15.Cc Folding: thermodynamics, statistical mechanics, models, and pathways –
© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg, 2009