A coarse-grained molecular model of amyloid fibrils systems

被引:2
作者
Daghash, Shaden M. [1 ]
Rivas, Oscar M. Matus M. [1 ]
Mezzenga, Raffaele [2 ,3 ]
Rey, Alejandro D. [1 ]
机构
[1] McGill Univ, Dept Chem Engn, 3610 Univ St, Montreal, PQ H3A 0C5, Canada
[2] Swiss Fed Inst Technol, Dept Hlth Sci & Technol, CH-8092 Zurich, Switzerland
[3] Swiss Fed Inst Technol, Dept Mat, CH-8093 Zurich, Switzerland
基金
瑞士国家科学基金会;
关键词
LIQUID-CRYSTALS; AGGREGATION; DYNAMICS;
D O I
10.1039/d3sm00408b
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We report a computational model for amyloid fibrils and discuss its main features and ability to match different experimental morphological characteristics. The model captures the liquid crystalline and cholesteric behaviours in short and rigid amyloid fibrils and shows promising extendibility to more complex colloidal liquid crystals.
引用
收藏
页码:5044 / 5049
页数:6
相关论文
共 50 条
[31]   Sequence-dependent thermodynamics of a coarse-grained DNA model [J].
Sulc, Petr ;
Romano, Flavio ;
Ouldridge, Thomas E. ;
Rovigatti, Lorenzo ;
Doye, Jonathan P. K. ;
Louis, Ard A. .
JOURNAL OF CHEMICAL PHYSICS, 2012, 137 (13)
[32]   Coarse-grained model of titrating peptides interacting with lipid bilayers [J].
Tesei, Giulio ;
Vazdar, Mario ;
Lund, Mikael .
JOURNAL OF CHEMICAL PHYSICS, 2018, 149 (24)
[33]   Coarse-Grained Model of Disordered RNA for Simulations of Biomolecular Condensates [J].
Yasuda, Ikki ;
von Bulow, Soren ;
Tesei, Giulio ;
Yamamoto, Eiji ;
Yasuoka, Kenji ;
Lindorff-Larsen, Kresten .
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2025, 21 (05) :2766-2779
[34]   Understanding DNA interactions in crowded environments with a coarse-grained model [J].
Hong, Fan ;
Schreck, John S. ;
Sulc, Petr .
NUCLEIC ACIDS RESEARCH, 2020, 48 (19) :10726-10738
[35]   Insights into Actin Polymerization and Nucleation Using a Coarse-Grained Model [J].
Horan, Brandon G. ;
Hall, Aaron R. ;
Vavylonis, Dimitrios .
BIOPHYSICAL JOURNAL, 2020, 119 (03) :553-566
[36]   Coarse-grained simulations of polyelectrolyte brushes using a hybrid model [J].
Kinjo, Tomoyuki ;
Yoshida, Hiroaki ;
Washizu, Hitoshi .
COLLOID AND POLYMER SCIENCE, 2018, 296 (03) :441-449
[37]   Coarse-grained model for protein folding based on structural profiles [J].
Wolff, Katrin ;
Vendruscolo, Michele ;
Porto, Markus .
PHYSICAL REVIEW E, 2011, 84 (04)
[38]   Application of a coarse-grained model for the design of complex supramolecular networks [J].
Baran, L. ;
Rzysko, W. .
MOLECULAR SYSTEMS DESIGN & ENGINEERING, 2020, 5 (02) :484-492
[39]   A coarse-grained model for disordered and multi-domain proteins [J].
Cao, Fan ;
von Buelow, Soeren ;
Tesei, Giulio ;
Lindorff-Larsen, Kresten .
PROTEIN SCIENCE, 2024, 33 (11)
[40]   A Coarse-Grained Protein Model in a Water-like Solvent [J].
Sharma, Sumit ;
Kumar, Sanat K. ;
Buldyrev, Sergey V. ;
Debenedetti, Pablo G. ;
Rossky, Peter J. ;
Stanley, H. Eugene .
SCIENTIFIC REPORTS, 2013, 3