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Potentially amyloidogenic conformational intermediates populate the unfolding landscape of transthyretin: Insights from molecular dynamics simulations

  1. J. Rui Rodrigues1,†,‡,
  2. Carlos J. V. Simões1,2,‡,
  3. Cândida G. Silva1,2,
  4. Rui M. M. Brito1,2,*

Article first published online: 20 NOV 2009

DOI: 10.1002/pro.289

Issue

Protein Science

Protein Science

Volume 19, Issue 2, pages 202–219, February 2010

Additional Information

How to Cite

Rodrigues, J. R., Simões, C. J. V., Silva, C. G. and Brito, R. M. M. (2010), Potentially amyloidogenic conformational intermediates populate the unfolding landscape of transthyretin: Insights from molecular dynamics simulations. Protein Science, 19: 202–219. doi: 10.1002/pro.289

Author Information

  1. 1

    Center for Neuroscience and Cell Biology, University of Coimbra, 3004-517 Coimbra, Portugal

  2. 2

    Chemistry Department, Faculty of Science and Technology, University of Coimbra, 3004-535 Coimbra, Portugal

  1. †

    J. Rui Rodrigues's current address is ESTG, Instituto Politécnico de Leiria, 2411-901 Leiria, Portugal

  1. ‡

    The first two authors contributed equally to the present work, with JRR being mostly responsible for setting up the simulations and developing some of the analysis tools, and CJVS by the extensive analysis of the data.

*Departamento de Química, Universidade de Coimbra, 3004-535 Coimbra, Portugal

Publication History

  1. Issue published online: 21 JAN 2010
  2. Article first published online: 20 NOV 2009
  3. Accepted manuscript online: 20 NOV 2009 12:00AM EST
  4. Manuscript Accepted: 26 OCT 2009
  5. Manuscript Revised: 25 OCT 2009
  6. Manuscript Received: 24 MAR 2009

Funded by

  • Fundação para a Ciência e a Tecnologia
  • Program FEDER, Portugal. Grant Numbers: POCTI/BME/49583/2002, PTDC/BIA-PRO/72838/2006, AI/06/02, SFRH/BD/16888/2004, SFRH/BD/29357/2006

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    Xue Xu, Xia Wang, Zhentao Xiao, Yan Li, Yonghua Wang, Probing the structural and functional link between mutation- and pH-dependent hydration dynamics and amyloidosis of transthyretin, Soft Matter, 2012, 8, 2, 324

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    Giulio Vistoli, Alessandro Pedretti, Bernard Testa, Chemodiversity and molecular plasticity: recognition processes as explored by property spaces, Future Medicinal Chemistry, 2011, 3, 8, 995

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