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Journal of Nanomaterials
Volume 2016, Article ID 1863065, 10 pages
http://dx.doi.org/10.1155/2016/1863065
Research Article

Effects of End-Terminal Capping on Transthyretin (105–115) Amyloid Protofibrils Using Steered Molecular Dynamics

Department of Mechanical Engineering, Korea University, Seoul 136-701, Republic of Korea

Received 30 December 2015; Revised 31 March 2016; Accepted 10 April 2016

Academic Editor: Zhiping Xu

Copyright © 2016 Myeongsang Lee et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Supplementary Material

Figure S1. Electrostatic energy variation of uncapped and capped TTR amyloid protofibrils from beginning of simulation to first peak force event near 1 ns. (a) Time-electrostatic energy graph when 0.001 Å/ps constant velocity pulling applied. Green color represents the capped model, while pink color expresses the uncapped model. (b) Time-electrostatic energy graph when 0.005 Å/ps constant velocity pulling applied. Blue color represents the capped model, whereas yellow color expresses the uncapped model. (c) Released amount of electrostatic energy of uncapped and capped TTR amyloid protofibrils.

  1. Supplementary Material