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초록
We report the spontaneous dimerization process of the full-length A beta 42 proteins in water by using unguided, fully atomistic, explicit-water molecular dynamics simulations. Based on the thermodynamic analysis, we demonstrate that A beta 42 dimerization in water occurs via a two-step nucleation-accommodation mechanism driven by water-induced force and by protein internal force, respectively.
키워드
MOLECULAR-DYNAMICS SIMULATIONS; ALZHEIMERS-DISEASE; PROTEIN; OLIGOMERS; DIMER; THERMODYNAMICS; AGGREGATION; MECHANISM; MONOMER
- 제목
- Atomic-level investigations on the amyloid-beta dimerization process and its driving forces in water
- 저자
- Chong, Song-Ho; Ham, Sihyun
- 발행일
- 2012-12
- 유형
- Article
- 권
- 14
- 호
- 5
- 페이지
- 1573 ~ 1575