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arXiv · 1003.4624

Determination of factors governing fibrillogenesis of polypeptide chains using lattice models

Mai Suan Li·Nguyen Truong Co·Govardhan Reddy·C-K Hu·D. Thirumalai
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Abstract

Using lattice models we explore the factors that determine the tendencies of polypeptide chains to aggregate by exhaustively sampling the sequence and conformational space. The morphologies of the fibril-like structures and the time scales ($τ_{fib}$) for their formation depend on a subtle balance between hydrophobic and coulomb interactions. The extent of population of a fibril-prone structure in the spectrum of monomer conformations is the major determinant of $τ_{fib}$. This observation is used to determine the aggregation-prone consensus sequences by exhaustively exploring the sequence space. Our results provide a basis for genome wide search of fragments that are aggregation prone.

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Mai Suan Li, Nguyen Truong Co, Govardhan Reddy, C-K Hu, D. Thirumalai. 2010-03-24. Determination of factors governing fibrillogenesis of polypeptide chains using lattice models. https://arxiv.org/abs/1003.4624

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