| VÁCHA, Robert and D FRENKEL. Relation between Molecular Shape and the Morphology of Self-Assembling Aggregates: A Simulation Study. Biophysical Journal. Bethesda, USA: Biophysical Society, 2011, vol. 101, No 6, p. 1432-1439. ISSN 0006-3495. doi:10.1016/j.bpj.2011.07.046. |
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@article{957098,
author = {Vácha, Robert and Frenkel, D},
article_location = {Bethesda, USA},
article_number = {6},
doi = {http://dx.doi.org/10.1016/j.bpj.2011.07.046},
keywords = {HARD SPHEROCYLINDERS; PROTEIN STRUCTURES; PEPTIDES; SYSTEMS; FLUID},
language = {eng},
issn = {0006-3495},
journal = {Biophysical Journal},
title = {Relation between Molecular Shape and the Morphology of Self-Assembling Aggregates: A Simulation Study},
url = {http://dx.doi.org/10.1016/j.bpj.2011.07.046},
volume = {101},
year = {2011}
}
TY - JOUR
ID - 957098
AU - Vácha, Robert - Frenkel, D
PY - 2011
TI - Relation between Molecular Shape and the Morphology of Self-Assembling Aggregates: A Simulation Study
JF - Biophysical Journal
VL - 101
IS - 6
SP - 1432-1439
EP - 1432-1439
PB - Biophysical Society
SN - 00063495
KW - HARD SPHEROCYLINDERS
KW - PROTEIN STRUCTURES
KW - PEPTIDES
KW - SYSTEMS
KW - FLUID
UR - http://dx.doi.org/10.1016/j.bpj.2011.07.046
N2 - Proteins can aggregate in a wide variety of structures, both compact and extended. We present simulations of a coarse-grained anisotropic model that reproduce many of the experimentally observed aggregate structures. Conversely, all structures predicted by our model have experimental counterparts (ribbons, multistranded fibrils, and vesicles). The model we use is that of a rodlike particle with an attractive (hydrophobic) stripe on its side. Our Monte Carlo simulations show that aggregate morphologies crucially depend on two parameters. The first one is the width of the attractive stripe and the second one is a presence or absence of attractive interactions at the particle ends. These results provide us with a generic insight into the relation between the shape of protein-protein interaction potential and the morphology of protein aggregates.
ER -
VÁCHA, Robert and D FRENKEL. Relation between Molecular Shape and the Morphology of Self-Assembling Aggregates: A Simulation Study. \textit{Biophysical Journal}. Bethesda, USA: Biophysical Society, 2011, vol.~101, No~6, p.~1432-1439. ISSN~0006-3495. doi:10.1016/j.bpj.2011.07.046.
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