Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models
Alex Morriss-Andrews1, Joan-Emma Shea1
1Department of Chemistry and Biochemistry and Department of Physics, University of California, Santa Barbara, California 93106-9510, United States.
The Journal of Physical Chemistry Letters
|August 15, 2015
Abstract:
This Perspective highlights recent computational approaches to protein aggregation, from coarse-grained models to atomistic simulations, using the islet amyloid polypeptide (IAPP) as a case study. We review salient open questions where simulations can make an impact, discuss the successes and challenges met by simulations, and explore new directions.
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