Jianjun Hu1
, Yifeng D Yang2
and Daisuke Kihara2,1,3,4 
1
Department of Computer Science, Purdue University, West Lafayette, IN, 47907, USA
2
Department of Biological Sciences, Purdue University, West Lafayette, IN, 47907, USA
3
Markey Center for Structural Biology, Purdue University, West Lafayette, IN, 47907, USA
4
The Bindley Bioscience Center, Discovery Park, Purdue University, West Lafayette, IN, 47907, USA