Simulations of protein aggregation: Insights from atomistic and coarse-grained models

  • Morriss-Andrews A
  • Shea J
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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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  • Alex Morriss-Andrews

  • Joan Emma Shea

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