Proceeding of EDISON Challenge (EDISON SW 활용 경진대회 논문집)
- 2017.03a
- /
- Pages.32-38
- /
- 2017
Analysis of Dissociation Pathway of HET-s Prion Using Steered Pulling Simulation
- Kim, Minwoo (Department of Chemistry, Sejong University) ;
- Cho, Tony (Department of Chemistry, Seoul National University) ;
- Shin, Seokmin (Department of Chemistry, Sejong University)
- Published : 2017.03.24
Abstract
Prion is a group of the proteins known for its infection mechanisms of Creutzfeldt-Jakob disease (CJD) and other diseases. Solved structures and proven biological roles of fungal prions add tremendous potential to conducting computational simulations. Our research focuses on the binding dynamics of HET-s(218-289), one of the heterokaryon fungal prion originated from Podospora anserina, by calculating the binding free energy using umbrella sampling at 300 K. The binding free energy calculated was
Keywords