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  • 09월 04일 13시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

Computational approaches on the thermodynamic properties of possible secondary structures by using the polyalanine model

등록일
2009년 8월 13일 22시 23분 00초
접수번호
0685
발표코드
34P91포 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
목 <발표Ⅰ>
발표형식
포스터
발표분야
물리화학
저자 및
공동저자
홍주연, 함시현
숙명여자대학교 화학과, Korea
Quantitative prediction of the possible secondary structures is important to understand the function of proteins at the molecular level. One of the most interesting secondary structures, the α-sheet has been received a great attention because it was proposed as the possible intermediate conformation to form the beta-sheet fibrils in the aggregation process. Including the α-sheet conformation, the eight possible secondary was investigated by using the density functional theory and molecular dynamics simulation to estimate the thermodynamic properties of the secondary structures. The relative thermodynamic properties are discussed in terms of the thermodynamic stability, gibb’s free energy, enthalpy, entropy, dipole moment, and the charge separation.

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