The folding mechanism and key metastable state identification of the PrP127–147 monomer studied by molecular dynamics simulations and Markov state model analysis

Shuangyan Zhou, Qianqian Wang, Yuwei Wang, Xiaojun Yao, Wei Han, Huanxiang Liu
2017 Physical Chemistry, Chemical Physics - PCCP  
MD simulation combined with MSM analysis was employed to investigate the structural dynamics and the folding mechanism of the key fragment 127–147 monomer of prion protein.
doi:10.1039/c7cp01521f pmid:28406520 fatcat:m5klhuw3bjbj7abpd5vkbbbvte