The intrinsic helical propensities of the helical fragments in prion protein under neutral and low pH conditions : a replica exchange molecular dynamics study

• Main Authors: Zhang, John Z. H., Lu, Xiaoliang, Zeng, Juan, Gao, Ya, Zhang, Dawei, Mei, Ye
• Other Authors: School of Physical and Mathematical Sciences
• Format: Article
• Language: English
• Published: 2013
• Online Access: https://hdl.handle.net/10356/99170; http://hdl.handle.net/10220/17372
• Institution: Nanyang Technological University

Replica exchange molecular dynamics simulations in neutral and acidic aqueous solutions were employed to study the intrinsic helical propensities of three helices in both Syrian hamster (syPrP) and human (huPrP) prion proteins. The helical propensities of syPrP HA and huPrP HA are very high under bo...