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  • 02월 22일 16시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

EXPLORING THE MOLECULAR INTERACTIONS IN AMYLOID PEPTIDE AGGREGATION BY MOLECULAR DYNAMICS SIMULATION

등록일
2008년 2월 4일 11시 18분 00초
접수번호
0034
발표코드
금29A3구 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
금 14시 : 50분
발표형식
구두발표
발표분야
물리화학
저자 및
공동저자
이제욱, 함시현
숙명여자대학교 화학과,
Amyloid ß(Aß)-protein is widely interested in pathological folding and oligomer formation as the key protein of amyloid deposits. To find the initial conditions of aggregation and its structural characteristics, MD simulations were performed on Aß42 monomer in explicit water condition. Its hydrated structures were mainly coiled-coil or helix-coil structures. In a certain stage of MD simulations, characteristic structures having the maximum values of main chain (MC) – MC contact were founded. From these structures, we knew about correlation between MC-MC contact values of hydrophobic side-chains in Aß(17-26) and Aß(33-42) and solvent accessible surface area (SASA) of them. The features revealed by these MD simulation studies were useful to understanding properties that are need to be aggregated and its mechanism of Aß42.

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