Structure and Aggregation in a Simple Helix-Forming Polymer
James Magee, Leo Lue, and Robin Curtis. School of Chemical Engineering and Analytical Science, University of Manchester, PO Box 88, Sackville Street, Manchester M60 1QD, United Kingdom
We have studied the competition between structure formation and aggregation for a simple helix-forming polymer model. We present simulation results for a system of two such polymers, examining the potential of mean force, the balance between inter- and intra-molecular interactions, and the promotion or disruption of secondary structure brought on by the proximity of the two molecules. In particular, we demonstrate that proximity of two such molecules promotes the formation of secondary structure, and relate this to the behaviour of real protein systems, inferred from experimental results and from more "realistic" protein simulation.