Structure and aggregation of a helix-forming polymer.
We have studied the competition between helix formation and aggregation for a simple polymer model. We present simulation results for a system of two such polymers, examining the potential of mean force, the balance between intermolecular and intramolecular interactions, and the promotion or disruption of secondary structure brought on by the proximity of the two molecules. In particular, we demonstrate that proximity between two such molecules can stabilize secondary structure. However, for this model, observed secondary structure is not stable enough to prevent collapse of the system into an unstructured globule.
Magee
James E
JE
School of Chemical Engineering and Analytical Science, The University of Manchester, P.O. Box 88, Sackville Street, Manchester, M60 1QD, United Kingdom. j.magee@manchester.ac.uk
Song
Zhankai
Z
Curtis
Robin A
RA
Lue
Leo
L
D001665:Binding Sites; D003198:Computer Simulation; D019281:Dimerization; D008956:Models, Chemical; D008958:Models, Molecular; D046912:Multiprotein Complexes / Q000737:chemistry / Q000648:ultrastructure; D011108:Polymers / Q000737:chemistry*; D011485:Protein Binding; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry* / Q000648:ultrastructure*
D046912:Multiprotein Complexes; D011108:Polymers; D011506:Proteins