Supporting information
Sequential protein unfolding through a carbon nanotube pore
Zhonghe Xu
1
, Shuang Zhang
1,2
, Jeffrey K. Weber
3
, Binquan Luan
3
, Ruhong Zhou
3,4*
, Jingyuan Li
1*
1
Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, Institute of High Energy Physics,
Chinese Academy of Sciences, Beijing 100049, P. R. China
2
Department of Physics, Zhejiang University, Hangzhou 310027, P. R. China
3
IBM Thomas J. Watson Research Center, Yorktown Heights, New York 10598, United States
4
Department of Chemistry, Columbia University, New York, New York 10027, United State
Figure S1: The system setup of protein unfolding through CNT-based nanopore. Water and ions are not shown for clarity. The
protein was initially positioned such that the chosen pulling terminus (i.e. the N-terminus, left; and C-terminus, right) was situated 8
Å above the CNT entrance. After a 5-ns equilibration, the protein terminus (rendered as a sphere) was then threaded into the
nanopore via steered molecular dynamics.
Electronic Supplementary Material (ESI) for Nanoscale.
This journal is © The Royal Society of Chemistry 2016