Molecular dynamics simulation of the enhancement of cobra cardiotoxin and E6 protein binding on mixed self-assembled
Shih-Wei Hung1, Jenn-Kang Hwang, Fangang Tseng
1Department of Engineering and System Science, National Tsing Hua University, Hsinchu 300, Taiwan.
Nanotechnology
|July 6, 2011
Abstract:
Molecular dynamics simulations are performed on n-alkinethiol self-assembled monolayers (SAMs) and their mixture on a gold surface so that the orientations of the binding of cobra cardiotoxin and E6 protein molecules can be selected using the mixing ratio of CH3-terminated SAMs with different chain lengths. The simulations suggest that a SAM surface with different mixing ratios may provide a possible platform for aligning protein molecules with a desired orientation and for enhancing the binding energy of the protein on the designed surface.
