Disassembly and trimer formation of E2 protein cage : the effects of C-terminus, salt, and protonation state

• Main Authors: Lee, Hwankyu, Lim, Sierin
• Other Authors: School of Chemical and Biomedical Engineering
• Format: Article
• Language: English
• Published: 2020
• Subjects: Engineering::Chemical engineering; Molecular Dynamics Simulation; Protein Self-assembly
• Online Access: https://hdl.handle.net/10356/136740
• Institution: Nanyang Technological University

E2 protein cages, which consist of the assembled 60 subunits, were simulated at two levels of protonation to mimic their electrostatic properties at pH 4 and 7 using all-atom models. Starting with the initial configuration of the assembled 60-mer, either the truncation of C-terminus or the protonati...